1-N"-propylbutane-1,1,1-triamine

C7H19N3 — CID 91113013

IUPAC1-N"-propylbutane-1,1,1-triamine
SMILESCCCNC(N)(N)CCC
InChIInChI=1S/C7H19N3/c1-3-5-7(8,9)10-6-4-2/h10H,3-6,8-9H2,1-2H3
InChIKeyKSUBRZVQMBFXDG-UHFFFAOYSA-N
MW145.25 g/mol
LogP0.36
Rot. Bonds5

About 1-N"-propylbutane-1,1,1-triamine

1-N"-propylbutane-1,1,1-triamine (PubChem CID 91113013) has the molecular formula C7H19N3 and a molecular weight of 145.25 g/mol. Its IUPAC name is 1-N"-propylbutane-1,1,1-triamine.

Molecular Properties

Compound Name1-N"-propylbutane-1,1,1-triamine
PubChem CID91113013
Molecular FormulaC7H19N3
Molecular Weight145.25 g/mol
Exact Mass145.16
IUPAC Name1-N"-propylbutane-1,1,1-triamine
SMILESCCCNC(N)(N)CCC
InChIInChI=1S/C7H19N3/c1-3-5-7(8,9)10-6-4-2/h10H,3-6,8-9H2,1-2H3
InChIKeyKSUBRZVQMBFXDG-UHFFFAOYSA-N
XLogP0.36
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 50.36
H-Bond Donors ≤ 53
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

1-N",1-N"-dimethyl-1-N'-propylpropane-1,1,1-triamine
CID 118624734
1-N"-undecylpropane-1,1,1-triamine
CID 54090869
3-propyl-3-(propylamino)hexan-1-ol
CID 65234503
2-propyl-2-(propylamino)pentanenitrile
CID 28900772
ethyl 2-methyl-2-(propylamino)pentanoate
CID 60796647
1-N,1-N'-dipropyl-1-silylethane-1,1-diamine
CID 174202627
3-cyclopentyl-1-N"-ethylpropane-1,1,1-triamine
CID 91162180
hex-1-ene-3,3-diamine
CID 167559937
1-N,1-N',1-N"-tripropyl-2-silylethane-1,1,1-triamine
CID 123764566
hexane-3,3-diamine
CID 18331048
2-propylpentane-1,1,1,2-tetramine
CID 141463069
1-amino-2-(2-hydroxyethylamino)pentane-1,1,2-triol;copper
CID 88812819

Frequently Asked Questions

What is the IUPAC name of 1-N"-propylbutane-1,1,1-triamine?
The IUPAC name of 1-N"-propylbutane-1,1,1-triamine (CID 91113013) is 1-N"-propylbutane-1,1,1-triamine.
What is the SMILES notation for 1-N"-propylbutane-1,1,1-triamine?
The canonical SMILES for 1-N"-propylbutane-1,1,1-triamine is CCCNC(N)(N)CCC.
What is the InChIKey of 1-N"-propylbutane-1,1,1-triamine?
The InChIKey is KSUBRZVQMBFXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3/c1-3-5-7(8,9)10-6-4-2/h10H,3-6,8-9H2,1-2H3.
What are the key properties of 1-N"-propylbutane-1,1,1-triamine?
1-N"-propylbutane-1,1,1-triamine has a molecular weight of 145.25 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N"-propylbutane-1,1,1-triamine is sourced from PubChem (CID 91113013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).