N-(2-bicyclo[2.2.1]heptanylmethyl)cycloheptanamine

C15H27N — CID 61364545

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)cycloheptanamine
SMILESC1CCCC(NCC2CC3CCC2C3)CC1
InChIInChI=1S/C15H27N/c1-2-4-6-15(5-3-1)16-11-14-10-12-7-8-13(14)9-12/h12-16H,1-11H2
InChIKeyKIRWQDQBDTVTQC-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.73
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanylmethyl)cycloheptanamine

N-(2-bicyclo[2.2.1]heptanylmethyl)cycloheptanamine (PubChem CID 61364545) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)cycloheptanamine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)cycloheptanamine
PubChem CID61364545
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)cycloheptanamine
SMILESC1CCCC(NCC2CC3CCC2C3)CC1
InChIInChI=1S/C15H27N/c1-2-4-6-15(5-3-1)16-11-14-10-12-7-8-13(14)9-12/h12-16H,1-11H2
InChIKeyKIRWQDQBDTVTQC-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)cyclobutanamine
CID 63689763
N-(2-bicyclo[2.2.1]heptanylmethyl)thian-4-amine
CID 62734121
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]cycloheptanamine
CID 63506248
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-ethylpiperidin-4-amine
CID 55232032
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-cyclohexylurea
CID 26974944
(1R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclohexylethanamine
CID 81385495
trans-(1R,2R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylcyclopropan-1-amine
CID 130978957
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103780287
2-(2-bicyclo[2.2.1]heptanylmethylamino)-N-cycloheptylacetamide
CID 63683149
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylsulfanylcyclohexan-1-amine
CID 114123275
N-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclopropanamine
CID 51723135
[2-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]cyclohexyl]methanol
CID 79551480

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)cycloheptanamine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)cycloheptanamine (CID 61364545) is N-(2-bicyclo[2.2.1]heptanylmethyl)cycloheptanamine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)cycloheptanamine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)cycloheptanamine is C1CCCC(NCC2CC3CCC2C3)CC1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)cycloheptanamine?
The InChIKey is KIRWQDQBDTVTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-2-4-6-15(5-3-1)16-11-14-10-12-7-8-13(14)9-12/h12-16H,1-11H2.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)cycloheptanamine?
N-(2-bicyclo[2.2.1]heptanylmethyl)cycloheptanamine has a molecular weight of 221.39 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)cycloheptanamine is sourced from PubChem (CID 61364545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).