N-(cyclohex-3-en-1-ylmethyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C18H25N — CID 115418373

IUPACN-(cyclohex-3-en-1-ylmethyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC1CCC(NCC2CC=CCC2)c2ccccc21
InChIInChI=1S/C18H25N/c1-14-11-12-18(17-10-6-5-9-16(14)17)19-13-15-7-3-2-4-8-15/h2-3,5-6,9-10,14-15,18-19H,4,7-8,11-13H2,1H3
InChIKeyPXGUBNIEEWAEAE-UHFFFAOYSA-N
MW255.41 g/mol
LogP4.57
Rot. Bonds3

About N-(cyclohex-3-en-1-ylmethyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

N-(cyclohex-3-en-1-ylmethyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115418373) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115418373
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC1CCC(NCC2CC=CCC2)c2ccccc21
InChIInChI=1S/C18H25N/c1-14-11-12-18(17-10-6-5-9-16(14)17)19-13-15-7-3-2-4-8-15/h2-3,5-6,9-10,14-15,18-19H,4,7-8,11-13H2,1H3
InChIKeyPXGUBNIEEWAEAE-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]cyclopentan-1-ol
CID 103271312
N-(2-methoxyethyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81301213
1-cyclohex-3-en-1-yl-N-[(2-cyclopropylphenyl)methyl]methanamine
CID 79979311
2-chloro-N-(cyclohex-3-en-1-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82689681
3-(cyclohex-3-en-1-ylmethylamino)-1-phenylpyrrolidin-2-one
CID 119127762
4-methyl-N-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418329
2-N,2-N-dimethyl-1-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propane-1,2-diamine
CID 81344254
4-methyl-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418185
(1S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-phenylethanamine
CID 40641093
N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 115418093
6-chloro-N-(cyclohex-3-en-1-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43232515
4-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81301517

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115418373) is N-(cyclohex-3-en-1-ylmethyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CC1CCC(NCC2CC=CCC2)c2ccccc21.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is PXGUBNIEEWAEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-14-11-12-18(17-10-6-5-9-16(14)17)19-13-15-7-3-2-4-8-15/h2-3,5-6,9-10,14-15,18-19H,4,7-8,11-13H2,1H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
N-(cyclohex-3-en-1-ylmethyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 255.41 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115418373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).