1-cyclobutylnonan-1-amine

C13H27N — CID 64986616

IUPAC1-cyclobutylnonan-1-amine
SMILESCCCCCCCCC(N)C1CCC1
InChIInChI=1S/C13H27N/c1-2-3-4-5-6-7-11-13(14)12-9-8-10-12/h12-13H,2-11,14H2,1H3
InChIKeyBNGZXHHVZDGPCB-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.86
Rot. Bonds8

About 1-cyclobutylnonan-1-amine

1-cyclobutylnonan-1-amine (PubChem CID 64986616) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1-cyclobutylnonan-1-amine.

Molecular Properties

Compound Name1-cyclobutylnonan-1-amine
PubChem CID64986616
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1-cyclobutylnonan-1-amine
SMILESCCCCCCCCC(N)C1CCC1
InChIInChI=1S/C13H27N/c1-2-3-4-5-6-7-11-13(14)12-9-8-10-12/h12-13H,2-11,14H2,1H3
InChIKeyBNGZXHHVZDGPCB-UHFFFAOYSA-N
XLogP3.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cycloheptylheptan-1-amine
CID 65399314
(1R)-1-cyclopentylpentan-1-amine
CID 55292231
3-(1-aminodecyl)cyclohexan-1-amine
CID 139824543
1-(3-methylcyclohexyl)hexan-1-amine
CID 55210427
1-(oxan-4-yl)heptan-1-amine
CID 65334749
1-(4,4-dimethylcyclohexyl)octan-1-amine
CID 65391803
1-(oxan-4-yl)tridecan-1-amine
CID 65334434
1-(4-ethylcyclohexyl)undecan-1-amine
CID 65394557
(1R)-1-cyclobutylbutan-1-amine
CID 55293085
1-(oxan-3-yl)heptan-1-amine
CID 65331908
1-cyclopentyl-10-methyltetradecane-1,10-diamine
CID 57080271
azane;1-cyclobutylbutan-1-amine;dihydrate
CID 140660348

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutylnonan-1-amine?
The IUPAC name of 1-cyclobutylnonan-1-amine (CID 64986616) is 1-cyclobutylnonan-1-amine.
What is the SMILES notation for 1-cyclobutylnonan-1-amine?
The canonical SMILES for 1-cyclobutylnonan-1-amine is CCCCCCCCC(N)C1CCC1.
What is the InChIKey of 1-cyclobutylnonan-1-amine?
The InChIKey is BNGZXHHVZDGPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-2-3-4-5-6-7-11-13(14)12-9-8-10-12/h12-13H,2-11,14H2,1H3.
What are the key properties of 1-cyclobutylnonan-1-amine?
1-cyclobutylnonan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylnonan-1-amine is sourced from PubChem (CID 64986616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).