3,4-dimethylpentane-1,3-diamine

C7H18N2 — CID 57083980

IUPAC3,4-dimethylpentane-1,3-diamine
SMILESCC(C)C(C)(N)CCN
InChIInChI=1S/C7H18N2/c1-6(2)7(3,9)4-5-8/h6H,4-5,8-9H2,1-3H3
InChIKeyYMPVFTGGDNMOFP-UHFFFAOYSA-N
MW130.23 g/mol
LogP0.71
Rot. Bonds3

About 3,4-dimethylpentane-1,3-diamine

3,4-dimethylpentane-1,3-diamine (PubChem CID 57083980) has the molecular formula C7H18N2 and a molecular weight of 130.23 g/mol. Its IUPAC name is 3,4-dimethylpentane-1,3-diamine.

Molecular Properties

Compound Name3,4-dimethylpentane-1,3-diamine
PubChem CID57083980
Molecular FormulaC7H18N2
Molecular Weight130.23 g/mol
Exact Mass130.15
IUPAC Name3,4-dimethylpentane-1,3-diamine
SMILESCC(C)C(C)(N)CCN
InChIInChI=1S/C7H18N2/c1-6(2)7(3,9)4-5-8/h6H,4-5,8-9H2,1-3H3
InChIKeyYMPVFTGGDNMOFP-UHFFFAOYSA-N
XLogP0.71
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylpentane-1,3-diamine?
The IUPAC name of 3,4-dimethylpentane-1,3-diamine (CID 57083980) is 3,4-dimethylpentane-1,3-diamine.
What is the SMILES notation for 3,4-dimethylpentane-1,3-diamine?
The canonical SMILES for 3,4-dimethylpentane-1,3-diamine is CC(C)C(C)(N)CCN.
What is the InChIKey of 3,4-dimethylpentane-1,3-diamine?
The InChIKey is YMPVFTGGDNMOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2/c1-6(2)7(3,9)4-5-8/h6H,4-5,8-9H2,1-3H3.
What are the key properties of 3,4-dimethylpentane-1,3-diamine?
3,4-dimethylpentane-1,3-diamine has a molecular weight of 130.23 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylpentane-1,3-diamine is sourced from PubChem (CID 57083980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).