N-methyl-1-(4-propylcyclohexyl)heptan-1-amine

C17H35N — CID 65423768

IUPACN-methyl-1-(4-propylcyclohexyl)heptan-1-amine
SMILESCCCCCCC(NC)C1CCC(CCC)CC1
InChIInChI=1S/C17H35N/c1-4-6-7-8-10-17(18-3)16-13-11-15(9-5-2)12-14-16/h15-18H,4-14H2,1-3H3
InChIKeyUNUPKTOBKZWMIT-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.15
Rot. Bonds9

About N-methyl-1-(4-propylcyclohexyl)heptan-1-amine

N-methyl-1-(4-propylcyclohexyl)heptan-1-amine (PubChem CID 65423768) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is N-methyl-1-(4-propylcyclohexyl)heptan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(4-propylcyclohexyl)heptan-1-amine
PubChem CID65423768
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC NameN-methyl-1-(4-propylcyclohexyl)heptan-1-amine
SMILESCCCCCCC(NC)C1CCC(CCC)CC1
InChIInChI=1S/C17H35N/c1-4-6-7-8-10-17(18-3)16-13-11-15(9-5-2)12-14-16/h15-18H,4-14H2,1-3H3
InChIKeyUNUPKTOBKZWMIT-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.15
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-methyl-1-(4-propylcyclohexyl)butan-1-amine
CID 65423384
N-ethyl-1-(4-propylcyclohexyl)octan-1-amine
CID 65423776
N-methyl-1-(4-propan-2-ylcyclohexyl)heptan-1-amine
CID 65425541
N-methyl-1-(4-methylcyclohexyl)nonan-1-amine
CID 63415649
2-cyclopropyl-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65423192
1-(4-butylcyclohexyl)-N,4-dimethylpentan-1-amine
CID 115834392
1-(4-butylcyclohexyl)-N-methylhex-5-yn-1-amine
CID 105033925
1-(4-butylcyclohexyl)-N-methylhex-5-en-1-amine
CID 104986932
N-methyl-1-(4-methylcyclohexyl)pentan-1-amine
CID 62604529
2-methoxy-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 79575352
1-(4-tert-butylcyclohexyl)-N-methylpentan-1-amine
CID 65402958
1-cyclopropyl-N-methyltetradecan-3-amine
CID 104995022

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-propylcyclohexyl)heptan-1-amine?
The IUPAC name of N-methyl-1-(4-propylcyclohexyl)heptan-1-amine (CID 65423768) is N-methyl-1-(4-propylcyclohexyl)heptan-1-amine.
What is the SMILES notation for N-methyl-1-(4-propylcyclohexyl)heptan-1-amine?
The canonical SMILES for N-methyl-1-(4-propylcyclohexyl)heptan-1-amine is CCCCCCC(NC)C1CCC(CCC)CC1.
What is the InChIKey of N-methyl-1-(4-propylcyclohexyl)heptan-1-amine?
The InChIKey is UNUPKTOBKZWMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-4-6-7-8-10-17(18-3)16-13-11-15(9-5-2)12-14-16/h15-18H,4-14H2,1-3H3.
What are the key properties of N-methyl-1-(4-propylcyclohexyl)heptan-1-amine?
N-methyl-1-(4-propylcyclohexyl)heptan-1-amine has a molecular weight of 253.47 g/mol, XLogP of 5.15, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-propylcyclohexyl)heptan-1-amine is sourced from PubChem (CID 65423768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).