4-cyclobutyl-3-methylhexan-1-amine

C11H23N — CID 123156991

IUPAC4-cyclobutyl-3-methylhexan-1-amine
SMILESCCC(C(C)CCN)C1CCC1
InChIInChI=1S/C11H23N/c1-3-11(9(2)7-8-12)10-5-4-6-10/h9-11H,3-8,12H2,1-2H3
InChIKeyIWZUIYCJZVDZPR-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.80
Rot. Bonds5

About 4-cyclobutyl-3-methylhexan-1-amine

4-cyclobutyl-3-methylhexan-1-amine (PubChem CID 123156991) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 4-cyclobutyl-3-methylhexan-1-amine.

Molecular Properties

Compound Name4-cyclobutyl-3-methylhexan-1-amine
PubChem CID123156991
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name4-cyclobutyl-3-methylhexan-1-amine
SMILESCCC(C(C)CCN)C1CCC1
InChIInChI=1S/C11H23N/c1-3-11(9(2)7-8-12)10-5-4-6-10/h9-11H,3-8,12H2,1-2H3
InChIKeyIWZUIYCJZVDZPR-UHFFFAOYSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclopropylpentan-2-ylcyclopentane
CID 90913708
4,5-dimethyldecan-3-ylcyclopentane
CID 167499527
3-(4-butan-2-ylphenyl)-3-cyclopentylpropan-1-amine
CID 112516776
3-cyclopropylpentan-1-amine
CID 64919361
[(3R)-3-methylpentan-2-yl]cyclopentane
CID 144516432
3-amino-2-cyclobutylpentan-1-ol
CID 131206631
1-methyl-3-(4-methylheptan-3-yl)cyclobutane
CID 123570171
(2S)-2-cyclohexyl-3-methylbutan-1-amine
CID 96739435
1-methyl-3-(3-methylheptan-4-yl)cyclohexane
CID 147901007
(7-ethyl-5-methyldodecan-4-yl)cyclobutane
CID 123270914
(3S)-3-cyclopentyl-3-ethoxypropan-1-amine
CID 95757314
4,5-dimethylheptan-2-ylcyclobutane
CID 123660607

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-3-methylhexan-1-amine?
The IUPAC name of 4-cyclobutyl-3-methylhexan-1-amine (CID 123156991) is 4-cyclobutyl-3-methylhexan-1-amine.
What is the SMILES notation for 4-cyclobutyl-3-methylhexan-1-amine?
The canonical SMILES for 4-cyclobutyl-3-methylhexan-1-amine is CCC(C(C)CCN)C1CCC1.
What is the InChIKey of 4-cyclobutyl-3-methylhexan-1-amine?
The InChIKey is IWZUIYCJZVDZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-3-11(9(2)7-8-12)10-5-4-6-10/h9-11H,3-8,12H2,1-2H3.
What are the key properties of 4-cyclobutyl-3-methylhexan-1-amine?
4-cyclobutyl-3-methylhexan-1-amine has a molecular weight of 169.31 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-3-methylhexan-1-amine is sourced from PubChem (CID 123156991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).