N-ethyl-8-[(4-ethylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

C18H34N2 — CID 62738650

IUPACN-ethyl-8-[(4-ethylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2CC1CCC(CC)CC1
InChIInChI=1S/C18H34N2/c1-3-14-5-7-15(8-6-14)13-20-17-9-10-18(20)12-16(11-17)19-4-2/h14-19H,3-13H2,1-2H3
InChIKeyJYTWXBNWSJBIRW-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.81
Rot. Bonds5

About N-ethyl-8-[(4-ethylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

N-ethyl-8-[(4-ethylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62738650) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is N-ethyl-8-[(4-ethylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-ethyl-8-[(4-ethylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62738650
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC NameN-ethyl-8-[(4-ethylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2CC1CCC(CC)CC1
InChIInChI=1S/C18H34N2/c1-3-14-5-7-15(8-6-14)13-20-17-9-10-18(20)12-16(11-17)19-4-2/h14-19H,3-13H2,1-2H3
InChIKeyJYTWXBNWSJBIRW-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-(cyclobutylmethyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713983
N-ethyl-8-[(1-methylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 55106669
8-[(4-ethylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 62738482
N-ethyl-8-[(4-methylmorpholin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 79071084
8-[(1-methylpiperidin-4-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740031
N-ethyl-8-[(1-methylpyrrolidin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 114137824
9-(cyclopropylmethyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713964
N-ethyl-9-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712172
8-[2-(dimethylamino)propyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55107250
8-(oxolan-3-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62824400
N-ethyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 62741048
N-ethyl-3-(4-ethylpiperidin-1-yl)cyclohexan-1-amine
CID 79630874

Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-[(4-ethylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-ethyl-8-[(4-ethylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 62738650) is N-ethyl-8-[(4-ethylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-ethyl-8-[(4-ethylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-ethyl-8-[(4-ethylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is CCNC1CC2CCC(C1)N2CC1CCC(CC)CC1.
What is the InChIKey of N-ethyl-8-[(4-ethylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is JYTWXBNWSJBIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-3-14-5-7-15(8-6-14)13-20-17-9-10-18(20)12-16(11-17)19-4-2/h14-19H,3-13H2,1-2H3.
What are the key properties of N-ethyl-8-[(4-ethylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
N-ethyl-8-[(4-ethylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 278.48 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-[(4-ethylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62738650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).