butan-1-amine;dodecan-1-amine

C16H38N2 — CID 158532895

IUPACbutan-1-amine;dodecan-1-amine
SMILESCCCCCCCCCCCCN.CCCCN
InChIInChI=1S/C12H27N.C4H11N/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2-3-4-5/h2-13H2,1H3;2-5H2,1H3
InChIKeyHNOYVXSMDIKYFF-UHFFFAOYSA-N
MW258.49 g/mol
LogP4.61
Rot. Bonds12

About butan-1-amine;dodecan-1-amine

butan-1-amine;dodecan-1-amine (PubChem CID 158532895) has the molecular formula C16H38N2 and a molecular weight of 258.49 g/mol. Its IUPAC name is butan-1-amine;dodecan-1-amine.

Molecular Properties

Compound Namebutan-1-amine;dodecan-1-amine
PubChem CID158532895
Molecular FormulaC16H38N2
Molecular Weight258.49 g/mol
Exact Mass258.30
IUPAC Namebutan-1-amine;dodecan-1-amine
SMILESCCCCCCCCCCCCN.CCCCN
InChIInChI=1S/C12H27N.C4H11N/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2-3-4-5/h2-13H2,1H3;2-5H2,1H3
InChIKeyHNOYVXSMDIKYFF-UHFFFAOYSA-N
XLogP4.61
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.49
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tridecan-1-amine;undecan-1-amine
CID 23045943
butane-1,4-diamine;hexan-1-amine
CID 162097736
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
dotetracontan-1-amine
CID 14550497
octadecan-1-amine;titanium
CID 174493472
tetracosan-1-amine;hydrobromide
CID 175600580
decane;decane-1,10-diamine;methanediamine
CID 158649191
octadecan-1-amine;trihydrochloride
CID 175177898
copper;hexan-1-amine
CID 87269039
nonan-1-amine;dihydrate
CID 174770026
pentadecan-1-amine;hydrobromide
CID 173087623

Frequently Asked Questions

What is the IUPAC name of butan-1-amine;dodecan-1-amine?
The IUPAC name of butan-1-amine;dodecan-1-amine (CID 158532895) is butan-1-amine;dodecan-1-amine.
What is the SMILES notation for butan-1-amine;dodecan-1-amine?
The canonical SMILES for butan-1-amine;dodecan-1-amine is CCCCCCCCCCCCN.CCCCN.
What is the InChIKey of butan-1-amine;dodecan-1-amine?
The InChIKey is HNOYVXSMDIKYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.C4H11N/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2-3-4-5/h2-13H2,1H3;2-5H2,1H3.
What are the key properties of butan-1-amine;dodecan-1-amine?
butan-1-amine;dodecan-1-amine has a molecular weight of 258.49 g/mol, XLogP of 4.61, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-amine;dodecan-1-amine is sourced from PubChem (CID 158532895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).