3-(aminomethyl)-N-cycloheptyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine

C17H33N3 — CID 43613913

IUPAC3-(aminomethyl)-N-cycloheptyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(CN)(N(C)C1CCCCCC1)C2
InChIInChI=1S/C17H33N3/c1-19-15-9-10-16(19)12-17(11-15,13-18)20(2)14-7-5-3-4-6-8-14/h14-16H,3-13,18H2,1-2H3
InChIKeyAQKYHKMORSJXNL-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.60
Rot. Bonds3

About 3-(aminomethyl)-N-cycloheptyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine

3-(aminomethyl)-N-cycloheptyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 43613913) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 3-(aminomethyl)-N-cycloheptyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-cycloheptyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID43613913
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name3-(aminomethyl)-N-cycloheptyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(CN)(N(C)C1CCCCCC1)C2
InChIInChI=1S/C17H33N3/c1-19-15-9-10-16(19)12-17(11-15,13-18)20(2)14-7-5-3-4-6-8-14/h14-16H,3-13,18H2,1-2H3
InChIKeyAQKYHKMORSJXNL-UHFFFAOYSA-N
XLogP2.60
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-cyclopentyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43267019
N-[1-(aminomethyl)cyclopropyl]-N-methylcyclohexanamine
CID 106660997
N-[1-(aminomethyl)-3-methoxycyclobutyl]-N-methylcyclohexanamine
CID 106821681
3-(aminomethyl)-N-cycloheptyl-N,1-dimethylpyrrolidin-3-amine
CID 62975279
N-[1-(aminomethyl)-3-methylcyclopentyl]-N-methylcyclohexanamine
CID 64501146
3-(aminomethyl)-N-butan-2-yl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43272772
1-(aminomethyl)-N-cyclohexyl-N,4-dimethylcyclohexan-1-amine
CID 43409627
4-(aminomethyl)-N-cyclohexyl-N-methyl-1,1-dioxothian-4-amine
CID 54982945
3-(aminomethyl)-N-cycloheptyl-N,5-dimethylthiolan-3-amine
CID 79950104
N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-N-methylcycloheptanamine
CID 64622550
N-[1-(aminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine
CID 79520724
3-(aminomethyl)-N-cyclohexyl-N-methylthian-3-amine
CID 62871304

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-cycloheptyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-cycloheptyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine (CID 43613913) is 3-(aminomethyl)-N-cycloheptyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-cycloheptyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-cycloheptyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine is CN1C2CCC1CC(CN)(N(C)C1CCCCCC1)C2.
What is the InChIKey of 3-(aminomethyl)-N-cycloheptyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is AQKYHKMORSJXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-19-15-9-10-16(19)12-17(11-15,13-18)20(2)14-7-5-3-4-6-8-14/h14-16H,3-13,18H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-cycloheptyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine?
3-(aminomethyl)-N-cycloheptyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 279.47 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-cycloheptyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 43613913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).