3,3-dimethylpentane-1,5-diamine

C7H18N2 — CID 18762084

IUPAC3,3-dimethylpentane-1,5-diamine
SMILESCC(C)(CCN)CCN
InChIInChI=1S/C7H18N2/c1-7(2,3-5-8)4-6-9/h3-6,8-9H2,1-2H3
InChIKeyVWZRPXFKQDWXMN-UHFFFAOYSA-N
MW130.23 g/mol
LogP0.71
Rot. Bonds4

About 3,3-dimethylpentane-1,5-diamine

3,3-dimethylpentane-1,5-diamine (PubChem CID 18762084) has the molecular formula C7H18N2 and a molecular weight of 130.23 g/mol. Its IUPAC name is 3,3-dimethylpentane-1,5-diamine.

Molecular Properties

Compound Name3,3-dimethylpentane-1,5-diamine
PubChem CID18762084
Molecular FormulaC7H18N2
Molecular Weight130.23 g/mol
Exact Mass130.15
IUPAC Name3,3-dimethylpentane-1,5-diamine
SMILESCC(C)(CCN)CCN
InChIInChI=1S/C7H18N2/c1-7(2,3-5-8)4-6-9/h3-6,8-9H2,1-2H3
InChIKeyVWZRPXFKQDWXMN-UHFFFAOYSA-N
XLogP0.71
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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 3,3-dimethylpentane-1,5-diamine?
The IUPAC name of 3,3-dimethylpentane-1,5-diamine (CID 18762084) is 3,3-dimethylpentane-1,5-diamine.
What is the SMILES notation for 3,3-dimethylpentane-1,5-diamine?
The canonical SMILES for 3,3-dimethylpentane-1,5-diamine is CC(C)(CCN)CCN.
What is the InChIKey of 3,3-dimethylpentane-1,5-diamine?
The InChIKey is VWZRPXFKQDWXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2/c1-7(2,3-5-8)4-6-9/h3-6,8-9H2,1-2H3.
What are the key properties of 3,3-dimethylpentane-1,5-diamine?
3,3-dimethylpentane-1,5-diamine has a molecular weight of 130.23 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylpentane-1,5-diamine is sourced from PubChem (CID 18762084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).