N-[2-(4,4-dimethylazepan-1-yl)ethyl]cycloheptanamine

C17H34N2 — CID 65286769

IUPACN-[2-(4,4-dimethylazepan-1-yl)ethyl]cycloheptanamine
SMILESCC1(C)CCCN(CCNC2CCCCCC2)CC1
InChIInChI=1S/C17H34N2/c1-17(2)10-7-13-19(14-11-17)15-12-18-16-8-5-3-4-6-9-16/h16,18H,3-15H2,1-2H3
InChIKeyKZUFTROCSWCIHE-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.81
Rot. Bonds4

About N-[2-(4,4-dimethylazepan-1-yl)ethyl]cycloheptanamine

N-[2-(4,4-dimethylazepan-1-yl)ethyl]cycloheptanamine (PubChem CID 65286769) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-[2-(4,4-dimethylazepan-1-yl)ethyl]cycloheptanamine.

Molecular Properties

Compound NameN-[2-(4,4-dimethylazepan-1-yl)ethyl]cycloheptanamine
PubChem CID65286769
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-[2-(4,4-dimethylazepan-1-yl)ethyl]cycloheptanamine
SMILESCC1(C)CCCN(CCNC2CCCCCC2)CC1
InChIInChI=1S/C17H34N2/c1-17(2)10-7-13-19(14-11-17)15-12-18-16-8-5-3-4-6-9-16/h16,18H,3-15H2,1-2H3
InChIKeyKZUFTROCSWCIHE-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]cycloheptanamine
CID 62932033
N-(2-pyrrolidin-1-ylethyl)cyclohexanamine
CID 43181622
N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexanamine
CID 60701363
4,4-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine
CID 65082868
4,4-dimethyl-N-(2-morpholin-4-ylethyl)cycloheptan-1-amine
CID 65082758
N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]cyclooctanamine
CID 71383118
N-[2-(azepan-1-yl)ethyl]cyclopropanamine
CID 54773126
N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentanamine
CID 60701361
N-(2-pyrrolidin-1-ylethyl)cyclopropanamine
CID 54773109
N-[2-(azepan-1-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998876
N-(2-thiomorpholin-4-ylethyl)cyclohexanamine
CID 62573834
N'-cyclohexyl-N-[2-(2-piperidin-1-ylethylamino)ethyl]propane-1,3-diamine
CID 143268114

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-dimethylazepan-1-yl)ethyl]cycloheptanamine?
The IUPAC name of N-[2-(4,4-dimethylazepan-1-yl)ethyl]cycloheptanamine (CID 65286769) is N-[2-(4,4-dimethylazepan-1-yl)ethyl]cycloheptanamine.
What is the SMILES notation for N-[2-(4,4-dimethylazepan-1-yl)ethyl]cycloheptanamine?
The canonical SMILES for N-[2-(4,4-dimethylazepan-1-yl)ethyl]cycloheptanamine is CC1(C)CCCN(CCNC2CCCCCC2)CC1.
What is the InChIKey of N-[2-(4,4-dimethylazepan-1-yl)ethyl]cycloheptanamine?
The InChIKey is KZUFTROCSWCIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-17(2)10-7-13-19(14-11-17)15-12-18-16-8-5-3-4-6-9-16/h16,18H,3-15H2,1-2H3.
What are the key properties of N-[2-(4,4-dimethylazepan-1-yl)ethyl]cycloheptanamine?
N-[2-(4,4-dimethylazepan-1-yl)ethyl]cycloheptanamine has a molecular weight of 266.47 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-dimethylazepan-1-yl)ethyl]cycloheptanamine is sourced from PubChem (CID 65286769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).