dodecan-1-amine

C12H27N — CID 13583

IUPACdodecan-1-amine
SMILESCCCCCCCCCCCCN
InChIInChI=1S/C12H27N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-13H2,1H3
InChIKeyJRBPAEWTRLWTQC-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.87
Rot. Bonds10

About dodecan-1-amine

dodecan-1-amine (PubChem CID 13583) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is dodecan-1-amine.

Molecular Properties

Compound Namedodecan-1-amine
PubChem CID13583
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Namedodecan-1-amine
SMILESCCCCCCCCCCCCN
InChIInChI=1S/C12H27N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-13H2,1H3
InChIKeyJRBPAEWTRLWTQC-UHFFFAOYSA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.87
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

Octylamine
CID 8143
2-Aminoheptane
CID 5603
1,8-Octanediamine
CID 24250
Octadecylamine
CID 15793
Hexadecylamine
CID 8926
1,10-Decanediamine
CID 1317
Decylamine
CID 8916
Tetradecylamine
CID 16217
1-Heptanamine
CID 8127
Nonylamine
CID 16215
1,12-Dodecanediamine
CID 17727
Pentadecylamine
CID 17386

Frequently Asked Questions

What is the IUPAC name of dodecan-1-amine?
The IUPAC name of dodecan-1-amine (CID 13583) is dodecan-1-amine.
What is the SMILES notation for dodecan-1-amine?
The canonical SMILES for dodecan-1-amine is CCCCCCCCCCCCN.
What is the InChIKey of dodecan-1-amine?
The InChIKey is JRBPAEWTRLWTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-13H2,1H3.
What are the key properties of dodecan-1-amine?
dodecan-1-amine has a molecular weight of 185.35 g/mol, XLogP of 3.87, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodecan-1-amine is sourced from PubChem (CID 13583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).