1,2-di(cyclobutyl)-N-ethylethanamine

C12H23N — CID 65456991

IUPAC1,2-di(cyclobutyl)-N-ethylethanamine
SMILESCCNC(CC1CCC1)C1CCC1
InChIInChI=1S/C12H23N/c1-2-13-12(11-7-4-8-11)9-10-5-3-6-10/h10-13H,2-9H2,1H3
InChIKeyOOIYGXFGCRDNNU-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.95
Rot. Bonds5

About 1,2-di(cyclobutyl)-N-ethylethanamine

1,2-di(cyclobutyl)-N-ethylethanamine (PubChem CID 65456991) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1,2-di(cyclobutyl)-N-ethylethanamine.

Molecular Properties

Compound Name1,2-di(cyclobutyl)-N-ethylethanamine
PubChem CID65456991
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1,2-di(cyclobutyl)-N-ethylethanamine
SMILESCCNC(CC1CCC1)C1CCC1
InChIInChI=1S/C12H23N/c1-2-13-12(11-7-4-8-11)9-10-5-3-6-10/h10-13H,2-9H2,1H3
InChIKeyOOIYGXFGCRDNNU-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cycloheptyl-2-cyclohexyl-N-ethylethanamine
CID 65399491
1,2-di(cycloheptyl)-N-ethylethanamine
CID 105027799
2-cyclobutyl-1-(3,5-dimethylcyclohexyl)-N-ethylethanamine
CID 103168801
1-cyclopropyl-N-ethyl-2-(oxan-4-yl)ethanamine
CID 62600215
2-cyclopropyl-1-(4,4-dimethylcyclohexyl)-N-ethylethanamine
CID 65391637
1-cyclobutyl-3-cyclopentyl-N-ethylpropan-2-amine
CID 115863503
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829
2-cyclohexyl-1-(3,4-dimethylcyclohexyl)-N-ethylethanamine
CID 104989257
2-cyclopropyl-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
CID 105152813
1,2-dicyclopentyl-N-methylethanamine
CID 62601762
2-(3-ethoxycyclobutyl)-N-ethyl-1-(3-methylcyclohexyl)ethanamine
CID 103168848
N-ethyl-1-(oxan-3-yl)-2-(oxan-4-yl)ethanamine
CID 65331868

Frequently Asked Questions

What is the IUPAC name of 1,2-di(cyclobutyl)-N-ethylethanamine?
The IUPAC name of 1,2-di(cyclobutyl)-N-ethylethanamine (CID 65456991) is 1,2-di(cyclobutyl)-N-ethylethanamine.
What is the SMILES notation for 1,2-di(cyclobutyl)-N-ethylethanamine?
The canonical SMILES for 1,2-di(cyclobutyl)-N-ethylethanamine is CCNC(CC1CCC1)C1CCC1.
What is the InChIKey of 1,2-di(cyclobutyl)-N-ethylethanamine?
The InChIKey is OOIYGXFGCRDNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-2-13-12(11-7-4-8-11)9-10-5-3-6-10/h10-13H,2-9H2,1H3.
What are the key properties of 1,2-di(cyclobutyl)-N-ethylethanamine?
1,2-di(cyclobutyl)-N-ethylethanamine has a molecular weight of 181.32 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(cyclobutyl)-N-ethylethanamine is sourced from PubChem (CID 65456991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).