N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-azabicyclo[3.2.1]octan-4-amine

C16H31N3 — CID 105365590

IUPACN-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-azabicyclo[3.2.1]octan-4-amine
SMILESCCN(C1CCCCC1CN)C1CCN2CCC1C2
InChIInChI=1S/C16H31N3/c1-2-19(15-6-4-3-5-13(15)11-17)16-8-10-18-9-7-14(16)12-18/h13-16H,2-12,17H2,1H3
InChIKeyALSYDNIPIMWLRR-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.92
Rot. Bonds4

About N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-azabicyclo[3.2.1]octan-4-amine

N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105365590) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105365590
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-azabicyclo[3.2.1]octan-4-amine
SMILESCCN(C1CCCCC1CN)C1CCN2CCC1C2
InChIInChI=1S/C16H31N3/c1-2-19(15-6-4-3-5-13(15)11-17)16-8-10-18-9-7-14(16)12-18/h13-16H,2-12,17H2,1H3
InChIKeyALSYDNIPIMWLRR-UHFFFAOYSA-N
XLogP1.92
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-azabicyclo[3.2.1]octan-4-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 105365542
2-N-[2-(aminomethyl)cyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103187895
2-(aminomethyl)-N-butyl-N-ethylcyclohexan-1-amine
CID 43293554
N-cyclopropyl-N-(piperidin-2-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 106621804
N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-methylsulfonylmethanesulfonamide
CID 82842962
2-(aminomethyl)-N-cyclopentyl-N-methylcyclopentan-1-amine
CID 43293690
N-[2-(aminomethyl)cycloheptyl]-N,1-dimethylpiperidin-4-amine
CID 43329366
2-(aminomethyl)-N-cyclopropyl-N-(2-methylpropyl)cycloheptan-1-amine
CID 55002106
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-5,5-dimethylthian-3-amine
CID 79946621
N-ethyl-N-(piperidin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105365605
N-[2-(aminomethyl)cyclopentyl]-N-ethylpiperidine-1-carboxamide
CID 79155815
2-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine
CID 79303418

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-azabicyclo[3.2.1]octan-4-amine (CID 105365590) is N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-azabicyclo[3.2.1]octan-4-amine is CCN(C1CCCCC1CN)C1CCN2CCC1C2.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is ALSYDNIPIMWLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-2-19(15-6-4-3-5-13(15)11-17)16-8-10-18-9-7-14(16)12-18/h13-16H,2-12,17H2,1H3.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-azabicyclo[3.2.1]octan-4-amine?
N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 265.44 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105365590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).