4-N-butyl-1-N,1-N-diethylpentane-1,4-diamine

C13H30N2 — CID 43178406

IUPAC4-N-butyl-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCCCNC(C)CCCN(CC)CC
InChIInChI=1S/C13H30N2/c1-5-8-11-14-13(4)10-9-12-15(6-2)7-3/h13-14H,5-12H2,1-4H3
InChIKeyLDPFDJORXMNXLI-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.89
Rot. Bonds10

About 4-N-butyl-1-N,1-N-diethylpentane-1,4-diamine

4-N-butyl-1-N,1-N-diethylpentane-1,4-diamine (PubChem CID 43178406) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 4-N-butyl-1-N,1-N-diethylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-butyl-1-N,1-N-diethylpentane-1,4-diamine
PubChem CID43178406
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name4-N-butyl-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCCCNC(C)CCCN(CC)CC
InChIInChI=1S/C13H30N2/c1-5-8-11-14-13(4)10-9-12-15(6-2)7-3/h13-14H,5-12H2,1-4H3
InChIKeyLDPFDJORXMNXLI-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-[2-(diethylamino)ethyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 43199211
N-[2-(diethylamino)ethyl]-N'-[(2R)-hexan-2-yl]propane-1,3-diamine
CID 92763316
5-[5-(diethylamino)pentan-2-ylamino]pentan-1-ol
CID 55053099
1-N,1-N-diethyl-4-N-(2-methylpentyl)pentane-1,4-diamine
CID 43201103
N-butylundecan-2-amine
CID 90035852
4-bromo-N-butylbutan-2-amine
CID 83187017
N',N'-diethyl-N-(4-methoxybutan-2-yl)butane-1,4-diamine
CID 115714050
1-N,1-N-diethyl-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine
CID 60689920
3-[5-(diethylamino)pentan-2-ylamino]-N'-hydroxypropanimidamide
CID 77026217
N'-(3-aminopropyl)-N'-[3-(decan-2-ylamino)propyl]propane-1,3-diamine
CID 90853445
N,N-diethyl-4-hydrazinylpentan-1-amine
CID 143055875
N-heptan-2-yl-N',N'-dimethylpropane-1,3-diamine
CID 43201514

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-1-N,1-N-diethylpentane-1,4-diamine?
The IUPAC name of 4-N-butyl-1-N,1-N-diethylpentane-1,4-diamine (CID 43178406) is 4-N-butyl-1-N,1-N-diethylpentane-1,4-diamine.
What is the SMILES notation for 4-N-butyl-1-N,1-N-diethylpentane-1,4-diamine?
The canonical SMILES for 4-N-butyl-1-N,1-N-diethylpentane-1,4-diamine is CCCCNC(C)CCCN(CC)CC.
What is the InChIKey of 4-N-butyl-1-N,1-N-diethylpentane-1,4-diamine?
The InChIKey is LDPFDJORXMNXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-5-8-11-14-13(4)10-9-12-15(6-2)7-3/h13-14H,5-12H2,1-4H3.
What are the key properties of 4-N-butyl-1-N,1-N-diethylpentane-1,4-diamine?
4-N-butyl-1-N,1-N-diethylpentane-1,4-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.89, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-1-N,1-N-diethylpentane-1,4-diamine is sourced from PubChem (CID 43178406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).