1-N-ethyl-1-N-propylbutane-1,3-diamine

C9H22N2 — CID 43268683

IUPAC1-N-ethyl-1-N-propylbutane-1,3-diamine
SMILESCCCN(CC)CCC(C)N
InChIInChI=1S/C9H22N2/c1-4-7-11(5-2)8-6-9(3)10/h9H,4-8,10H2,1-3H3
InChIKeyFRUPYVYGNDPWNR-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.46
Rot. Bonds6

About 1-N-ethyl-1-N-propylbutane-1,3-diamine

1-N-ethyl-1-N-propylbutane-1,3-diamine (PubChem CID 43268683) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 1-N-ethyl-1-N-propylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N-propylbutane-1,3-diamine
PubChem CID43268683
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name1-N-ethyl-1-N-propylbutane-1,3-diamine
SMILESCCCN(CC)CCC(C)N
InChIInChI=1S/C9H22N2/c1-4-7-11(5-2)8-6-9(3)10/h9H,4-8,10H2,1-3H3
InChIKeyFRUPYVYGNDPWNR-UHFFFAOYSA-N
XLogP1.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-methyl-N-propylbutan-1-amine
CID 89085287
N-ethyl-3-methyl-N-propylpentan-1-amine
CID 126690332
N,N-diethylpropan-1-amine;2-methylpropane
CID 143334042
1-N,1-N-didodecylbutane-1,3-diamine
CID 88670159
1-N-propan-2-yl-1-N-propylbutane-1,3-diamine
CID 43269493
N-ethyl-N,N',N'-tripropylethane-1,2-diamine
CID 88655813
2-[4-aminopentyl(propyl)amino]ethanol
CID 45357637
N-ethyl-N'-(2-methylpropyl)-N,N'-dipropylethane-1,2-diamine
CID 123205995
1-N-ethyl-1-N-propan-2-ylbutane-1,3-diamine
CID 43265715
1-N-ethyl-1-N-propylhexane-1,2-diamine
CID 60854775
N-ethyl-4-methyl-N-propylhexan-1-amine
CID 142891130
ethyl 4-[ethyl(propyl)amino]-2-(methylamino)butanoate
CID 63028830

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N-propylbutane-1,3-diamine?
The IUPAC name of 1-N-ethyl-1-N-propylbutane-1,3-diamine (CID 43268683) is 1-N-ethyl-1-N-propylbutane-1,3-diamine.
What is the SMILES notation for 1-N-ethyl-1-N-propylbutane-1,3-diamine?
The canonical SMILES for 1-N-ethyl-1-N-propylbutane-1,3-diamine is CCCN(CC)CCC(C)N.
What is the InChIKey of 1-N-ethyl-1-N-propylbutane-1,3-diamine?
The InChIKey is FRUPYVYGNDPWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-4-7-11(5-2)8-6-9(3)10/h9H,4-8,10H2,1-3H3.
What are the key properties of 1-N-ethyl-1-N-propylbutane-1,3-diamine?
1-N-ethyl-1-N-propylbutane-1,3-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-propylbutane-1,3-diamine is sourced from PubChem (CID 43268683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).