3-butan-2-yl-N,5-diethylcyclohexan-1-amine

C14H29N — CID 130343476

IUPAC3-butan-2-yl-N,5-diethylcyclohexan-1-amine
SMILESCCNC1CC(CC)CC(C(C)CC)C1
InChIInChI=1S/C14H29N/c1-5-11(4)13-8-12(6-2)9-14(10-13)15-7-3/h11-15H,5-10H2,1-4H3
InChIKeyQCFFGWDDYGCYNZ-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.84
Rot. Bonds5

About 3-butan-2-yl-N,5-diethylcyclohexan-1-amine

3-butan-2-yl-N,5-diethylcyclohexan-1-amine (PubChem CID 130343476) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 3-butan-2-yl-N,5-diethylcyclohexan-1-amine.

Molecular Properties

Compound Name3-butan-2-yl-N,5-diethylcyclohexan-1-amine
PubChem CID130343476
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name3-butan-2-yl-N,5-diethylcyclohexan-1-amine
SMILESCCNC1CC(CC)CC(C(C)CC)C1
InChIInChI=1S/C14H29N/c1-5-11(4)13-8-12(6-2)9-14(10-13)15-7-3/h11-15H,5-10H2,1-4H3
InChIKeyQCFFGWDDYGCYNZ-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,3-diethyl-5-methylcyclohexan-1-amine;ethane
CID 144914242
3-but-3-yn-2-yl-N-ethylcyclobutan-1-amine
CID 89126967
1-ethyl-3,5-di(propan-2-yl)cyclohexane
CID 90833557
N-[(4-ethylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103561721
N-ethyl-3-pentan-2-ylcyclohexan-1-amine
CID 107888160
N-ethyl-3-(2-methylpropyl)cyclopentan-1-amine
CID 64504045
trans-(3S,4S)-N-ethyl-3,4-dimethoxycyclopentan-1-amine
CID 166901731
1-(3-ethylcyclobutyl)propan-1-amine
CID 144526392
butan-2-ylcyclohexadecane
CID 123713671
N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64722982
butan-2-ylcyclopentane;ethane
CID 143236269
1-butan-2-yl-3-propylcyclopentane
CID 123336585

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-N,5-diethylcyclohexan-1-amine?
The IUPAC name of 3-butan-2-yl-N,5-diethylcyclohexan-1-amine (CID 130343476) is 3-butan-2-yl-N,5-diethylcyclohexan-1-amine.
What is the SMILES notation for 3-butan-2-yl-N,5-diethylcyclohexan-1-amine?
The canonical SMILES for 3-butan-2-yl-N,5-diethylcyclohexan-1-amine is CCNC1CC(CC)CC(C(C)CC)C1.
What is the InChIKey of 3-butan-2-yl-N,5-diethylcyclohexan-1-amine?
The InChIKey is QCFFGWDDYGCYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-5-11(4)13-8-12(6-2)9-14(10-13)15-7-3/h11-15H,5-10H2,1-4H3.
What are the key properties of 3-butan-2-yl-N,5-diethylcyclohexan-1-amine?
3-butan-2-yl-N,5-diethylcyclohexan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-N,5-diethylcyclohexan-1-amine is sourced from PubChem (CID 130343476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).