N-[2-[1-(aminomethyl)cyclohexyl]ethyl]cycloheptanamine

C16H32N2 — CID 113440233

IUPACN-[2-[1-(aminomethyl)cyclohexyl]ethyl]cycloheptanamine
SMILESNCC1(CCNC2CCCCCC2)CCCCC1
InChIInChI=1S/C16H32N2/c17-14-16(10-6-3-7-11-16)12-13-18-15-8-4-1-2-5-9-15/h15,18H,1-14,17H2
InChIKeyIHDOWIKPFXVBHC-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.60
Rot. Bonds5

About N-[2-[1-(aminomethyl)cyclohexyl]ethyl]cycloheptanamine

N-[2-[1-(aminomethyl)cyclohexyl]ethyl]cycloheptanamine (PubChem CID 113440233) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-[2-[1-(aminomethyl)cyclohexyl]ethyl]cycloheptanamine.

Molecular Properties

Compound NameN-[2-[1-(aminomethyl)cyclohexyl]ethyl]cycloheptanamine
PubChem CID113440233
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-[2-[1-(aminomethyl)cyclohexyl]ethyl]cycloheptanamine
SMILESNCC1(CCNC2CCCCCC2)CCCCC1
InChIInChI=1S/C16H32N2/c17-14-16(10-6-3-7-11-16)12-13-18-15-8-4-1-2-5-9-15/h15,18H,1-14,17H2
InChIKeyIHDOWIKPFXVBHC-UHFFFAOYSA-N
XLogP3.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-3-methylcyclopentan-1-amine
CID 114547242
N'-cycloundecylethane-1,2-diamine
CID 166845791
2-[1-(aminomethyl)cyclohexyl]-N-(dicyclopropylmethyl)ethanamine
CID 104678804
[1-(2-cyclohexylethyl)cycloheptyl]methanamine
CID 114193187
1-[2-(cyclohexylamino)ethyl]-N-methylcyclohexan-1-amine
CID 65241332
1-[2-(cyclopentylamino)ethyl]-N-methylcyclohexan-1-amine
CID 65241436
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-2,2-dimethylcyclopropan-1-amine
CID 81170697
N'-cyclopentylethane-1,2-diamine;dihydrochloride
CID 154725501
2-[1-(aminomethyl)cyclohexyl]-N-cyclohexylacetamide
CID 104677352
2-[1-(aminomethyl)cyclohexyl]-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 104678972
2-[1-[(cyclohexylamino)methyl]cyclohexyl]ethanol
CID 111974878
N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-2-phenylcyclopropan-1-amine
CID 104678843

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(aminomethyl)cyclohexyl]ethyl]cycloheptanamine?
The IUPAC name of N-[2-[1-(aminomethyl)cyclohexyl]ethyl]cycloheptanamine (CID 113440233) is N-[2-[1-(aminomethyl)cyclohexyl]ethyl]cycloheptanamine.
What is the SMILES notation for N-[2-[1-(aminomethyl)cyclohexyl]ethyl]cycloheptanamine?
The canonical SMILES for N-[2-[1-(aminomethyl)cyclohexyl]ethyl]cycloheptanamine is NCC1(CCNC2CCCCCC2)CCCCC1.
What is the InChIKey of N-[2-[1-(aminomethyl)cyclohexyl]ethyl]cycloheptanamine?
The InChIKey is IHDOWIKPFXVBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c17-14-16(10-6-3-7-11-16)12-13-18-15-8-4-1-2-5-9-15/h15,18H,1-14,17H2.
What are the key properties of N-[2-[1-(aminomethyl)cyclohexyl]ethyl]cycloheptanamine?
N-[2-[1-(aminomethyl)cyclohexyl]ethyl]cycloheptanamine has a molecular weight of 252.45 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(aminomethyl)cyclohexyl]ethyl]cycloheptanamine is sourced from PubChem (CID 113440233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).