N-methyl-4-(4-propan-2-ylazepan-1-yl)cyclohexan-1-amine

C16H32N2 — CID 114763376

IUPACN-methyl-4-(4-propan-2-ylazepan-1-yl)cyclohexan-1-amine
SMILESCNC1CCC(N2CCCC(C(C)C)CC2)CC1
InChIInChI=1S/C16H32N2/c1-13(2)14-5-4-11-18(12-10-14)16-8-6-15(17-3)7-9-16/h13-17H,4-12H2,1-3H3
InChIKeyLFNCAYPLKJXCHJ-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds3

About N-methyl-4-(4-propan-2-ylazepan-1-yl)cyclohexan-1-amine

N-methyl-4-(4-propan-2-ylazepan-1-yl)cyclohexan-1-amine (PubChem CID 114763376) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-methyl-4-(4-propan-2-ylazepan-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-(4-propan-2-ylazepan-1-yl)cyclohexan-1-amine
PubChem CID114763376
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-methyl-4-(4-propan-2-ylazepan-1-yl)cyclohexan-1-amine
SMILESCNC1CCC(N2CCCC(C(C)C)CC2)CC1
InChIInChI=1S/C16H32N2/c1-13(2)14-5-4-11-18(12-10-14)16-8-6-15(17-3)7-9-16/h13-17H,4-12H2,1-3H3
InChIKeyLFNCAYPLKJXCHJ-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-propan-2-ylazepan-1-yl)-N-propylcyclohexan-1-amine
CID 114763375
N-methyl-1-(4-propan-2-ylcyclohexyl)piperidin-3-amine
CID 62703750
3-(4-propan-2-ylazepan-1-yl)cyclobutan-1-amine
CID 80561615
1-cyclopropyl-N-methylpiperidin-4-amine;ethane
CID 142484063
4-(4-tert-butylazepan-1-yl)-N-methylcyclohexan-1-amine
CID 114763379
N-propan-2-yl-4-pyrrolidin-1-ylcyclohexan-1-amine
CID 178010020
(3R)-1-cyclopropyl-3-propan-2-ylpyrrolidine
CID 176871343
ethane;1-[4-(methylamino)cyclohexyl]piperidin-4-ol
CID 178011364
4-piperidin-1-yl-N-propan-2-ylcyclohexan-1-amine
CID 115906137
ethane;N-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-6-amine
CID 170747754
4-fluoro-1-(4-propan-2-ylcyclohexyl)piperidine
CID 58386347
1-cycloheptyl-3-propan-2-ylpiperidine
CID 163393179

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-propan-2-ylazepan-1-yl)cyclohexan-1-amine?
The IUPAC name of N-methyl-4-(4-propan-2-ylazepan-1-yl)cyclohexan-1-amine (CID 114763376) is N-methyl-4-(4-propan-2-ylazepan-1-yl)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-(4-propan-2-ylazepan-1-yl)cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-(4-propan-2-ylazepan-1-yl)cyclohexan-1-amine is CNC1CCC(N2CCCC(C(C)C)CC2)CC1.
What is the InChIKey of N-methyl-4-(4-propan-2-ylazepan-1-yl)cyclohexan-1-amine?
The InChIKey is LFNCAYPLKJXCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-13(2)14-5-4-11-18(12-10-14)16-8-6-15(17-3)7-9-16/h13-17H,4-12H2,1-3H3.
What are the key properties of N-methyl-4-(4-propan-2-ylazepan-1-yl)cyclohexan-1-amine?
N-methyl-4-(4-propan-2-ylazepan-1-yl)cyclohexan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-propan-2-ylazepan-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 114763376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).