N-[(1-cycloheptylcyclohexyl)methyl]propan-1-amine

C17H33N — CID 82933014

IUPACN-[(1-cycloheptylcyclohexyl)methyl]propan-1-amine
SMILESCCCNCC1(C2CCCCCC2)CCCCC1
InChIInChI=1S/C17H33N/c1-2-14-18-15-17(12-8-5-9-13-17)16-10-6-3-4-7-11-16/h16,18H,2-15H2,1H3
InChIKeyQCDKLLVVSCMBRA-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.91
Rot. Bonds5

About N-[(1-cycloheptylcyclohexyl)methyl]propan-1-amine

N-[(1-cycloheptylcyclohexyl)methyl]propan-1-amine (PubChem CID 82933014) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is N-[(1-cycloheptylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-cycloheptylcyclohexyl)methyl]propan-1-amine
PubChem CID82933014
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC NameN-[(1-cycloheptylcyclohexyl)methyl]propan-1-amine
SMILESCCCNCC1(C2CCCCCC2)CCCCC1
InChIInChI=1S/C17H33N/c1-2-14-18-15-17(12-8-5-9-13-17)16-10-6-3-4-7-11-16/h16,18H,2-15H2,1H3
InChIKeyQCDKLLVVSCMBRA-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-cycloheptyloxan-4-yl)methyl]propan-1-amine
CID 82933709
N-[(1-cyclopentylcyclohexyl)methyl]ethanamine
CID 82932904
N-[(1-cyclohexylcyclohexyl)methyl]-2-methoxyethanamine
CID 82932753
N-[(1-cyclopentylcyclohexyl)methyl]-2-methoxyethanamine
CID 82934395
N-[[1-(1,1-dioxothiolan-3-yl)cyclobutyl]methyl]propan-1-amine
CID 65194993
N-[(1-cyclohexylcyclohexyl)methyl]propan-2-amine
CID 82933466
1-butyl-1-cycloheptylcycloheptane
CID 140610618
N-[(3-cyclohexyl-2-methyloxolan-3-yl)methyl]propan-1-amine
CID 114534503
2-[1-[[1-(propylaminomethyl)cyclopentyl]methyl]piperidin-2-yl]ethanol
CID 62261936
N-[[1-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]cyclohexyl]methyl]propan-1-amine
CID 62888333
2-[(1-cyclohexylcyclohexyl)methylamino]-2-methylpropan-1-ol
CID 23388565
N-[(1-hexylcyclohexyl)methyl]propan-1-amine
CID 63508687

Frequently Asked Questions

What is the IUPAC name of N-[(1-cycloheptylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[(1-cycloheptylcyclohexyl)methyl]propan-1-amine (CID 82933014) is N-[(1-cycloheptylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-cycloheptylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-cycloheptylcyclohexyl)methyl]propan-1-amine is CCCNCC1(C2CCCCCC2)CCCCC1.
What is the InChIKey of N-[(1-cycloheptylcyclohexyl)methyl]propan-1-amine?
The InChIKey is QCDKLLVVSCMBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-2-14-18-15-17(12-8-5-9-13-17)16-10-6-3-4-7-11-16/h16,18H,2-15H2,1H3.
What are the key properties of N-[(1-cycloheptylcyclohexyl)methyl]propan-1-amine?
N-[(1-cycloheptylcyclohexyl)methyl]propan-1-amine has a molecular weight of 251.46 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cycloheptylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 82933014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).