N-(1-cyclohexylethenyl)-4-[(3R)-hexan-3-yl]-1-methyl-N-[(2R)-1-phenylpropan-2-yl]-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-amine

C37H53N — CID 155133011

IUPACN-(1-cyclohexylethenyl)-4-[(3R)-hexan-3-yl]-1-methyl-N-[(2R)-1-phenylpropan-2-yl]-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESC=C(C)C1CCc2c([C@H](CC)CCC)cc(N(C(=C)C3CCCCC3)[C@H](C)Cc3ccccc3)c(C)c2C1
InChIInChI=1S/C37H53N/c1-8-16-31(9-2)36-25-37(28(6)35-24-33(26(3)4)21-22-34(35)36)38(29(7)32-19-14-11-15-20-32)27(5)23-30-17-12-10-13-18-30/h10,12-13,17-18,25,27,31-33H,3,7-9,11,14-16,19-24H2,1-2,4-6H3/t27-,31-,33?/m1/s1
InChIKeyVFMKFEIJBVFOFB-WNZOHGLJSA-N
MW511.84 g/mol
LogP10.50
Rot. Bonds11

About N-(1-cyclohexylethenyl)-4-[(3R)-hexan-3-yl]-1-methyl-N-[(2R)-1-phenylpropan-2-yl]-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-amine

N-(1-cyclohexylethenyl)-4-[(3R)-hexan-3-yl]-1-methyl-N-[(2R)-1-phenylpropan-2-yl]-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-amine (PubChem CID 155133011) has the molecular formula C37H53N and a molecular weight of 511.84 g/mol. Its IUPAC name is N-(1-cyclohexylethenyl)-4-[(3R)-hexan-3-yl]-1-methyl-N-[(2R)-1-phenylpropan-2-yl]-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(1-cyclohexylethenyl)-4-[(3R)-hexan-3-yl]-1-methyl-N-[(2R)-1-phenylpropan-2-yl]-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-amine
PubChem CID155133011
Molecular FormulaC37H53N
Molecular Weight511.84 g/mol
Exact Mass511.42
IUPAC NameN-(1-cyclohexylethenyl)-4-[(3R)-hexan-3-yl]-1-methyl-N-[(2R)-1-phenylpropan-2-yl]-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESC=C(C)C1CCc2c([C@H](CC)CCC)cc(N(C(=C)C3CCCCC3)[C@H](C)Cc3ccccc3)c(C)c2C1
InChIInChI=1S/C37H53N/c1-8-16-31(9-2)36-25-37(28(6)35-24-33(26(3)4)21-22-34(35)36)38(29(7)32-19-14-11-15-20-32)27(5)23-30-17-12-10-13-18-30/h10,12-13,17-18,25,27,31-33H,3,7-9,11,14-16,19-24H2,1-2,4-6H3/t27-,31-,33?/m1/s1
InChIKeyVFMKFEIJBVFOFB-WNZOHGLJSA-N
XLogP10.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.84
LogP ≤ 510.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(1-cyclohexylethenyl)-4-[(3R)-hexan-3-yl]-1-methyl-N-[(2R)-1-phenylpropan-2-yl]-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-amine with MolForge

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Related Compounds

N-(1-cyclohexylethenyl)-1-methyl-7-(3-methylbut-1-en-2-yl)-N-[(2S)-1-(3-prop-1-en-2-ylphenyl)butan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-amine
CID 155133155
ethane;1-(2-methylpropyl)-3-prop-1-en-2-ylbenzene;prop-1-ene;prop-1-en-2-ylcyclohexane;2,7,8-trimethyl-1,2,3,4-tetrahydronaphthalene
CID 155697561
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CID 10762287
ethyl (2R)-2-benzyl-3-cyclohexyl-3-oxopropanoate
CID 134946670
N'-(1-phenylpropan-2-yl)cyclopentanecarboximidamide
CID 63181794
1-(1-cyclopentylethenyl)-4-(2-methylpropyl)benzene
CID 178141124
hydrogen peroxide;1-phenylbutan-2-ylbenzene
CID 19777291
2-amino-1-cyclooctyl-3-phenylpropan-1-one
CID 139435291
1-benzyl-3-prop-1-en-2-ylpiperidine
CID 174380345
N-butan-2-yl-N-phenylcyclohexanecarboxamide
CID 153425263
5-cyclohexyl-1,3-di(heptan-3-yl)-2-methylbenzene
CID 123832552
2-cyclohexylpropylbenzene
CID 15846297

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethenyl)-4-[(3R)-hexan-3-yl]-1-methyl-N-[(2R)-1-phenylpropan-2-yl]-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-amine?
The IUPAC name of N-(1-cyclohexylethenyl)-4-[(3R)-hexan-3-yl]-1-methyl-N-[(2R)-1-phenylpropan-2-yl]-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-amine (CID 155133011) is N-(1-cyclohexylethenyl)-4-[(3R)-hexan-3-yl]-1-methyl-N-[(2R)-1-phenylpropan-2-yl]-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-(1-cyclohexylethenyl)-4-[(3R)-hexan-3-yl]-1-methyl-N-[(2R)-1-phenylpropan-2-yl]-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-(1-cyclohexylethenyl)-4-[(3R)-hexan-3-yl]-1-methyl-N-[(2R)-1-phenylpropan-2-yl]-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-amine is C=C(C)C1CCc2c([C@H](CC)CCC)cc(N(C(=C)C3CCCCC3)[C@H](C)Cc3ccccc3)c(C)c2C1.
What is the InChIKey of N-(1-cyclohexylethenyl)-4-[(3R)-hexan-3-yl]-1-methyl-N-[(2R)-1-phenylpropan-2-yl]-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-amine?
The InChIKey is VFMKFEIJBVFOFB-WNZOHGLJSA-N. The full InChI is InChI=1S/C37H53N/c1-8-16-31(9-2)36-25-37(28(6)35-24-33(26(3)4)21-22-34(35)36)38(29(7)32-19-14-11-15-20-32)27(5)23-30-17-12-10-13-18-30/h10,12-13,17-18,25,27,31-33H,3,7-9,11,14-16,19-24H2,1-2,4-6H3/t27-,31-,33?/m1/s1.
What are the key properties of N-(1-cyclohexylethenyl)-4-[(3R)-hexan-3-yl]-1-methyl-N-[(2R)-1-phenylpropan-2-yl]-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-amine?
N-(1-cyclohexylethenyl)-4-[(3R)-hexan-3-yl]-1-methyl-N-[(2R)-1-phenylpropan-2-yl]-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-amine has a molecular weight of 511.84 g/mol, XLogP of 10.50, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethenyl)-4-[(3R)-hexan-3-yl]-1-methyl-N-[(2R)-1-phenylpropan-2-yl]-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 155133011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).