pentane-1,4-diamine

C5H14N2 — CID 550880

IUPACpentane-1,4-diamine
SMILESCC(N)CCCN
InChIInChI=1S/C5H14N2/c1-5(7)3-2-4-6/h5H,2-4,6-7H2,1H3
InChIKeyUEICEJLUNGARHQ-UHFFFAOYSA-N
MW102.18 g/mol
LogP0.07
Rot. Bonds3

About pentane-1,4-diamine

pentane-1,4-diamine (PubChem CID 550880) has the molecular formula C5H14N2 and a molecular weight of 102.18 g/mol. Its IUPAC name is pentane-1,4-diamine.

Molecular Properties

Compound Namepentane-1,4-diamine
PubChem CID550880
Molecular FormulaC5H14N2
Molecular Weight102.18 g/mol
Exact Mass102.12
IUPAC Namepentane-1,4-diamine
SMILESCC(N)CCCN
InChIInChI=1S/C5H14N2/c1-5(7)3-2-4-6/h5H,2-4,6-7H2,1H3
InChIKeyUEICEJLUNGARHQ-UHFFFAOYSA-N
XLogP0.07
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.18
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pentane-1,4-diamine?
The IUPAC name of pentane-1,4-diamine (CID 550880) is pentane-1,4-diamine.
What is the SMILES notation for pentane-1,4-diamine?
The canonical SMILES for pentane-1,4-diamine is CC(N)CCCN.
What is the InChIKey of pentane-1,4-diamine?
The InChIKey is UEICEJLUNGARHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2/c1-5(7)3-2-4-6/h5H,2-4,6-7H2,1H3.
What are the key properties of pentane-1,4-diamine?
pentane-1,4-diamine has a molecular weight of 102.18 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentane-1,4-diamine is sourced from PubChem (CID 550880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).