4,4-dimethylpentane-1,2-diamine

C7H18N2 — CID 62952309

IUPAC4,4-dimethylpentane-1,2-diamine
SMILESCC(C)(C)CC(N)CN
InChIInChI=1S/C7H18N2/c1-7(2,3)4-6(9)5-8/h6H,4-5,8-9H2,1-3H3
InChIKeyNWMYXAPASNVRQE-UHFFFAOYSA-N
MW130.23 g/mol
LogP0.71
Rot. Bonds2

About 4,4-dimethylpentane-1,2-diamine

4,4-dimethylpentane-1,2-diamine (PubChem CID 62952309) has the molecular formula C7H18N2 and a molecular weight of 130.23 g/mol. Its IUPAC name is 4,4-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name4,4-dimethylpentane-1,2-diamine
PubChem CID62952309
Molecular FormulaC7H18N2
Molecular Weight130.23 g/mol
Exact Mass130.15
IUPAC Name4,4-dimethylpentane-1,2-diamine
SMILESCC(C)(C)CC(N)CN
InChIInChI=1S/C7H18N2/c1-7(2,3)4-6(9)5-8/h6H,4-5,8-9H2,1-3H3
InChIKeyNWMYXAPASNVRQE-UHFFFAOYSA-N
XLogP0.71
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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 4,4-dimethylpentane-1,2-diamine?
The IUPAC name of 4,4-dimethylpentane-1,2-diamine (CID 62952309) is 4,4-dimethylpentane-1,2-diamine.
What is the SMILES notation for 4,4-dimethylpentane-1,2-diamine?
The canonical SMILES for 4,4-dimethylpentane-1,2-diamine is CC(C)(C)CC(N)CN.
What is the InChIKey of 4,4-dimethylpentane-1,2-diamine?
The InChIKey is NWMYXAPASNVRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2/c1-7(2,3)4-6(9)5-8/h6H,4-5,8-9H2,1-3H3.
What are the key properties of 4,4-dimethylpentane-1,2-diamine?
4,4-dimethylpentane-1,2-diamine has a molecular weight of 130.23 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylpentane-1,2-diamine is sourced from PubChem (CID 62952309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).