1-N'-(1-aminobutyl)-1-N'-ethylbutane-1,1-diamine

C10H25N3 — CID 18916068

IUPAC1-N'-(1-aminobutyl)-1-N'-ethylbutane-1,1-diamine
SMILESCCCC(N)N(CC)C(N)CCC
InChIInChI=1S/C10H25N3/c1-4-7-9(11)13(6-3)10(12)8-5-2/h9-10H,4-8,11-12H2,1-3H3
InChIKeyTWBLFJZQSIBMNP-UHFFFAOYSA-N
MW187.33 g/mol
LogP1.48
Rot. Bonds7

About 1-N'-(1-aminobutyl)-1-N'-ethylbutane-1,1-diamine

1-N'-(1-aminobutyl)-1-N'-ethylbutane-1,1-diamine (PubChem CID 18916068) has the molecular formula C10H25N3 and a molecular weight of 187.33 g/mol. Its IUPAC name is 1-N'-(1-aminobutyl)-1-N'-ethylbutane-1,1-diamine.

Molecular Properties

Compound Name1-N'-(1-aminobutyl)-1-N'-ethylbutane-1,1-diamine
PubChem CID18916068
Molecular FormulaC10H25N3
Molecular Weight187.33 g/mol
Exact Mass187.20
IUPAC Name1-N'-(1-aminobutyl)-1-N'-ethylbutane-1,1-diamine
SMILESCCCC(N)N(CC)C(N)CCC
InChIInChI=1S/C10H25N3/c1-4-7-9(11)13(6-3)10(12)8-5-2/h9-10H,4-8,11-12H2,1-3H3
InChIKeyTWBLFJZQSIBMNP-UHFFFAOYSA-N
XLogP1.48
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(Dibutylamino)propylamine
CID 1626
N,N-Diethyl-1,4-butanediamine
CID 117976
N-[4-(dimethylamino)butyl]-N',N'-dimethylbutane-1,4-diamine
CID 547280
N~1~-(3-Aminopropyl)-N~1~-methylbutane-1,4-diamine
CID 13307740
Bis(4-aminobutyl)(methyl)amine
CID 14122864
Butane, 1-aminopropylamino-
CID 22184083
N,N-dipropylbutane-1,4-diamine
CID 7138396
2-Diethyl-amino-1-ethylamine
CID 14345510
1-N-[1-(dimethylamino)propyl]-1-N',1-N'-dimethylpropane-1,1-diamine
CID 21923996
n,n-Dimethylbutanediamine
CID 21976155
1-Aminodipropylamine
CID 22184084
1-N'-(1-aminopropyl)propane-1,1-diamine
CID 22497403

Frequently Asked Questions

What is the IUPAC name of 1-N'-(1-aminobutyl)-1-N'-ethylbutane-1,1-diamine?
The IUPAC name of 1-N'-(1-aminobutyl)-1-N'-ethylbutane-1,1-diamine (CID 18916068) is 1-N'-(1-aminobutyl)-1-N'-ethylbutane-1,1-diamine.
What is the SMILES notation for 1-N'-(1-aminobutyl)-1-N'-ethylbutane-1,1-diamine?
The canonical SMILES for 1-N'-(1-aminobutyl)-1-N'-ethylbutane-1,1-diamine is CCCC(N)N(CC)C(N)CCC.
What is the InChIKey of 1-N'-(1-aminobutyl)-1-N'-ethylbutane-1,1-diamine?
The InChIKey is TWBLFJZQSIBMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3/c1-4-7-9(11)13(6-3)10(12)8-5-2/h9-10H,4-8,11-12H2,1-3H3.
What are the key properties of 1-N'-(1-aminobutyl)-1-N'-ethylbutane-1,1-diamine?
1-N'-(1-aminobutyl)-1-N'-ethylbutane-1,1-diamine has a molecular weight of 187.33 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(1-aminobutyl)-1-N'-ethylbutane-1,1-diamine is sourced from PubChem (CID 18916068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).