N-dodecyl-3-methylcyclobutan-1-amine

C17H35N — CID 113467183

IUPACN-dodecyl-3-methylcyclobutan-1-amine
SMILESCCCCCCCCCCCCNC1CC(C)C1
InChIInChI=1S/C17H35N/c1-3-4-5-6-7-8-9-10-11-12-13-18-17-14-16(2)15-17/h16-18H,3-15H2,1-2H3
InChIKeyXYYQOBVRRXZOHE-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.30
Rot. Bonds12

About N-dodecyl-3-methylcyclobutan-1-amine

N-dodecyl-3-methylcyclobutan-1-amine (PubChem CID 113467183) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is N-dodecyl-3-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-dodecyl-3-methylcyclobutan-1-amine
PubChem CID113467183
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC NameN-dodecyl-3-methylcyclobutan-1-amine
SMILESCCCCCCCCCCCCNC1CC(C)C1
InChIInChI=1S/C17H35N/c1-3-4-5-6-7-8-9-10-11-12-13-18-17-14-16(2)15-17/h16-18H,3-15H2,1-2H3
InChIKeyXYYQOBVRRXZOHE-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.30
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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Frequently Asked Questions

What is the IUPAC name of N-dodecyl-3-methylcyclobutan-1-amine?
The IUPAC name of N-dodecyl-3-methylcyclobutan-1-amine (CID 113467183) is N-dodecyl-3-methylcyclobutan-1-amine.
What is the SMILES notation for N-dodecyl-3-methylcyclobutan-1-amine?
The canonical SMILES for N-dodecyl-3-methylcyclobutan-1-amine is CCCCCCCCCCCCNC1CC(C)C1.
What is the InChIKey of N-dodecyl-3-methylcyclobutan-1-amine?
The InChIKey is XYYQOBVRRXZOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-3-4-5-6-7-8-9-10-11-12-13-18-17-14-16(2)15-17/h16-18H,3-15H2,1-2H3.
What are the key properties of N-dodecyl-3-methylcyclobutan-1-amine?
N-dodecyl-3-methylcyclobutan-1-amine has a molecular weight of 253.47 g/mol, XLogP of 5.30, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-3-methylcyclobutan-1-amine is sourced from PubChem (CID 113467183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).