N'-propylbutane-1,4-diamine

C7H18N2 — CID 12647544

IUPACN'-propylbutane-1,4-diamine
SMILESCCCNCCCCN
InChIInChI=1S/C7H18N2/c1-2-6-9-7-4-3-5-8/h9H,2-8H2,1H3
InChIKeyGHQFRBNLAGNQOE-UHFFFAOYSA-N
MW130.23 g/mol
LogP0.72
Rot. Bonds6

About N'-propylbutane-1,4-diamine

N'-propylbutane-1,4-diamine (PubChem CID 12647544) has the molecular formula C7H18N2 and a molecular weight of 130.23 g/mol. Its IUPAC name is N'-propylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-propylbutane-1,4-diamine
PubChem CID12647544
Molecular FormulaC7H18N2
Molecular Weight130.23 g/mol
Exact Mass130.15
IUPAC NameN'-propylbutane-1,4-diamine
SMILESCCCNCCCCN
InChIInChI=1S/C7H18N2/c1-2-6-9-7-4-3-5-8/h9H,2-8H2,1H3
InChIKeyGHQFRBNLAGNQOE-UHFFFAOYSA-N
XLogP0.72
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-propylbutane-1,4-diamine?
The IUPAC name of N'-propylbutane-1,4-diamine (CID 12647544) is N'-propylbutane-1,4-diamine.
What is the SMILES notation for N'-propylbutane-1,4-diamine?
The canonical SMILES for N'-propylbutane-1,4-diamine is CCCNCCCCN.
What is the InChIKey of N'-propylbutane-1,4-diamine?
The InChIKey is GHQFRBNLAGNQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2/c1-2-6-9-7-4-3-5-8/h9H,2-8H2,1H3.
What are the key properties of N'-propylbutane-1,4-diamine?
N'-propylbutane-1,4-diamine has a molecular weight of 130.23 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propylbutane-1,4-diamine is sourced from PubChem (CID 12647544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).