N-[(3-butylcyclobutyl)methyl]butan-1-amine

C13H27N — CID 97034533

IUPACN-[(3-butylcyclobutyl)methyl]butan-1-amine
SMILESCCCCNCC1CC(CCCC)C1
InChIInChI=1S/C13H27N/c1-3-5-7-12-9-13(10-12)11-14-8-6-4-2/h12-14H,3-11H2,1-2H3
InChIKeyIWUJHDLPYMXSMB-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.59
Rot. Bonds8

About N-[(3-butylcyclobutyl)methyl]butan-1-amine

N-[(3-butylcyclobutyl)methyl]butan-1-amine (PubChem CID 97034533) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-[(3-butylcyclobutyl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-[(3-butylcyclobutyl)methyl]butan-1-amine
PubChem CID97034533
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-[(3-butylcyclobutyl)methyl]butan-1-amine
SMILESCCCCNCC1CC(CCCC)C1
InChIInChI=1S/C13H27N/c1-3-5-7-12-9-13(10-12)11-14-8-6-4-2/h12-14H,3-11H2,1-2H3
InChIKeyIWUJHDLPYMXSMB-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 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 ≤ 53.59
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-butyl-3,5-dipropylcyclohexane
CID 145132341
3-butoxy-N-[(4-butylcyclohexyl)methyl]propan-1-amine
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N-(cyclopropylmethyl)pentan-1-amine
CID 28566810
N-[(4-butylcyclohexyl)methyl]-2-methoxyethanamine
CID 62542657
1-(bromomethyl)-3-butylcyclobutane
CID 86245492
N-[(4-butylcyclohexyl)methyl]ethanamine
CID 43163710
3-butyl-6-methylbicyclo[3.1.1]heptane
CID 147909490
3-[(heptylamino)methyl]cyclopentan-1-ol
CID 106120745
N-(cyclobutylmethyl)heptan-1-amine
CID 43298237
N-(cyclopentylmethyl)decan-1-amine
CID 63489737
N-(azetidin-3-ylmethyl)hexan-1-amine
CID 175786912
N-[(4-ethylcyclohexyl)methyl]decan-1-amine
CID 63492900

Frequently Asked Questions

What is the IUPAC name of N-[(3-butylcyclobutyl)methyl]butan-1-amine?
The IUPAC name of N-[(3-butylcyclobutyl)methyl]butan-1-amine (CID 97034533) is N-[(3-butylcyclobutyl)methyl]butan-1-amine.
What is the SMILES notation for N-[(3-butylcyclobutyl)methyl]butan-1-amine?
The canonical SMILES for N-[(3-butylcyclobutyl)methyl]butan-1-amine is CCCCNCC1CC(CCCC)C1.
What is the InChIKey of N-[(3-butylcyclobutyl)methyl]butan-1-amine?
The InChIKey is IWUJHDLPYMXSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-3-5-7-12-9-13(10-12)11-14-8-6-4-2/h12-14H,3-11H2,1-2H3.
What are the key properties of N-[(3-butylcyclobutyl)methyl]butan-1-amine?
N-[(3-butylcyclobutyl)methyl]butan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-butylcyclobutyl)methyl]butan-1-amine is sourced from PubChem (CID 97034533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).