butan-1-amine;N-butylbutan-1-amine;N,N-dibutylbutan-1-amine

C24H57N3 — CID 160890057

IUPACbutan-1-amine;N-butylbutan-1-amine;N,N-dibutylbutan-1-amine
SMILESCCCCN.CCCCN(CCCC)CCCC.CCCCNCCCC
InChIInChI=1S/C12H27N.C8H19N.C4H11N/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-3-5-7-9-8-6-4-2;1-2-3-4-5/h4-12H2,1-3H3;9H,3-8H2,1-2H3;2-5H2,1H3
InChIKeySODLSQVIHWYDHQ-UHFFFAOYSA-N
MW387.74 g/mol
LogP6.61
Rot. Bonds17

About butan-1-amine;N-butylbutan-1-amine;N,N-dibutylbutan-1-amine

butan-1-amine;N-butylbutan-1-amine;N,N-dibutylbutan-1-amine (PubChem CID 160890057) has the molecular formula C24H57N3 and a molecular weight of 387.74 g/mol. Its IUPAC name is butan-1-amine;N-butylbutan-1-amine;N,N-dibutylbutan-1-amine.

Molecular Properties

Compound Namebutan-1-amine;N-butylbutan-1-amine;N,N-dibutylbutan-1-amine
PubChem CID160890057
Molecular FormulaC24H57N3
Molecular Weight387.74 g/mol
Exact Mass387.46
IUPAC Namebutan-1-amine;N-butylbutan-1-amine;N,N-dibutylbutan-1-amine
SMILESCCCCN.CCCCN(CCCC)CCCC.CCCCNCCCC
InChIInChI=1S/C12H27N.C8H19N.C4H11N/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-3-5-7-9-8-6-4-2;1-2-3-4-5/h4-12H2,1-3H3;9H,3-8H2,1-2H3;2-5H2,1H3
InChIKeySODLSQVIHWYDHQ-UHFFFAOYSA-N
XLogP6.61
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.74
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(dibutylamino)ethyl]ethane-1,2-diamine
CID 54322779
N'-(3-aminopropyl)-N'-[3-(dodecylamino)propyl]propane-1,3-diamine
CID 164800746
N',N'-dibutylpropane-1,3-diamine;ethane
CID 170746351
N'-[2-[di(nonyl)amino]ethyl]octane-1,8-diamine
CID 142498918
N'-(2-aminoethyl)ethane-1,2-diamine;N,N-dioctyloctan-1-amine
CID 19864694
N',N'-bis(2-aminoethyl)-N-propylpropane-1,3-diamine
CID 20586475
N'-[2-(dioctadecylamino)ethyl]ethane-1,2-diamine
CID 19593405
N'-butyloctadecane-1,18-diamine
CID 19427141
ethane;N'-pentylbutane-1,4-diamine
CID 171066485
N'-ethyl-N'-[3-(propylamino)propyl]propane-1,3-diamine
CID 20833349
N-butyl-N',N'-dipropylethane-1,2-diamine
CID 54806933
N,N',N'-tris(3-aminopropyl)butane-1,4-diamine
CID 86175000

Frequently Asked Questions

What is the IUPAC name of butan-1-amine;N-butylbutan-1-amine;N,N-dibutylbutan-1-amine?
The IUPAC name of butan-1-amine;N-butylbutan-1-amine;N,N-dibutylbutan-1-amine (CID 160890057) is butan-1-amine;N-butylbutan-1-amine;N,N-dibutylbutan-1-amine.
What is the SMILES notation for butan-1-amine;N-butylbutan-1-amine;N,N-dibutylbutan-1-amine?
The canonical SMILES for butan-1-amine;N-butylbutan-1-amine;N,N-dibutylbutan-1-amine is CCCCN.CCCCN(CCCC)CCCC.CCCCNCCCC.
What is the InChIKey of butan-1-amine;N-butylbutan-1-amine;N,N-dibutylbutan-1-amine?
The InChIKey is SODLSQVIHWYDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.C8H19N.C4H11N/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-3-5-7-9-8-6-4-2;1-2-3-4-5/h4-12H2,1-3H3;9H,3-8H2,1-2H3;2-5H2,1H3.
What are the key properties of butan-1-amine;N-butylbutan-1-amine;N,N-dibutylbutan-1-amine?
butan-1-amine;N-butylbutan-1-amine;N,N-dibutylbutan-1-amine has a molecular weight of 387.74 g/mol, XLogP of 6.61, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-amine;N-butylbutan-1-amine;N,N-dibutylbutan-1-amine is sourced from PubChem (CID 160890057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).