N-[[1-(cyclohexen-1-yl)-3-propan-2-ylcyclobutyl]methyl]-2-methylpropan-1-amine

C18H33N — CID 116662377

IUPACN-[[1-(cyclohexen-1-yl)-3-propan-2-ylcyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(C2=CCCCC2)CC(C(C)C)C1
InChIInChI=1S/C18H33N/c1-14(2)12-19-13-18(10-16(11-18)15(3)4)17-8-6-5-7-9-17/h8,14-16,19H,5-7,9-13H2,1-4H3
InChIKeyIMGDKSRNDXNTIC-UHFFFAOYSA-N
MW263.47 g/mol
LogP4.78
Rot. Bonds6

About N-[[1-(cyclohexen-1-yl)-3-propan-2-ylcyclobutyl]methyl]-2-methylpropan-1-amine

N-[[1-(cyclohexen-1-yl)-3-propan-2-ylcyclobutyl]methyl]-2-methylpropan-1-amine (PubChem CID 116662377) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is N-[[1-(cyclohexen-1-yl)-3-propan-2-ylcyclobutyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(cyclohexen-1-yl)-3-propan-2-ylcyclobutyl]methyl]-2-methylpropan-1-amine
PubChem CID116662377
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC NameN-[[1-(cyclohexen-1-yl)-3-propan-2-ylcyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(C2=CCCCC2)CC(C(C)C)C1
InChIInChI=1S/C18H33N/c1-14(2)12-19-13-18(10-16(11-18)15(3)4)17-8-6-5-7-9-17/h8,14-16,19H,5-7,9-13H2,1-4H3
InChIKeyIMGDKSRNDXNTIC-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.47
LogP ≤ 54.78
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

N-[[1-(2,4-dichlorophenyl)-3-propan-2-ylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 65017042
N-[[1-(cyclohexen-1-yl)-3-phenylcyclobutyl]methyl]ethanamine
CID 116662248
2-(cyclohexen-1-yl)-4-(2-methylpropylamino)butan-2-ol
CID 106654920
1-[1-(cyclohexen-1-yl)-2-ethylcyclopropyl]-N-methylmethanamine
CID 116662200
2-(cyclohexen-1-yl)-3-ethyl-N-(2-methylpropyl)pentan-1-amine
CID 116662399
1-[(2-methylpropylamino)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 62773562
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 62596044
1-(cyclohepten-1-yl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429787
2-(cyclohexen-1-yl)-N-(2-methylpropyl)-2-propylpentan-1-amine
CID 116662398
N-[[1-(4-tert-butylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 63509925
[1-(cyclohexen-1-yl)cyclohexyl]methanamine
CID 116659372
[1-(cyclohexen-1-yl)cyclopent-3-en-1-yl]methanamine
CID 116659353

Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclohexen-1-yl)-3-propan-2-ylcyclobutyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(cyclohexen-1-yl)-3-propan-2-ylcyclobutyl]methyl]-2-methylpropan-1-amine (CID 116662377) is N-[[1-(cyclohexen-1-yl)-3-propan-2-ylcyclobutyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(cyclohexen-1-yl)-3-propan-2-ylcyclobutyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(cyclohexen-1-yl)-3-propan-2-ylcyclobutyl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1(C2=CCCCC2)CC(C(C)C)C1.
What is the InChIKey of N-[[1-(cyclohexen-1-yl)-3-propan-2-ylcyclobutyl]methyl]-2-methylpropan-1-amine?
The InChIKey is IMGDKSRNDXNTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-14(2)12-19-13-18(10-16(11-18)15(3)4)17-8-6-5-7-9-17/h8,14-16,19H,5-7,9-13H2,1-4H3.
What are the key properties of N-[[1-(cyclohexen-1-yl)-3-propan-2-ylcyclobutyl]methyl]-2-methylpropan-1-amine?
N-[[1-(cyclohexen-1-yl)-3-propan-2-ylcyclobutyl]methyl]-2-methylpropan-1-amine has a molecular weight of 263.47 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclohexen-1-yl)-3-propan-2-ylcyclobutyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 116662377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).