N',2-dimethylpropane-1,3-diamine

C5H14N2 — CID 19032309

IUPACN',2-dimethylpropane-1,3-diamine
SMILESCNCC(C)CN
InChIInChI=1S/C5H14N2/c1-5(3-6)4-7-2/h5,7H,3-4,6H2,1-2H3
InChIKeyHKAXXLXZPQLQHR-UHFFFAOYSA-N
MW102.18 g/mol
LogP-0.20
Rot. Bonds3

About N',2-dimethylpropane-1,3-diamine

N',2-dimethylpropane-1,3-diamine (PubChem CID 19032309) has the molecular formula C5H14N2 and a molecular weight of 102.18 g/mol. Its IUPAC name is N',2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN',2-dimethylpropane-1,3-diamine
PubChem CID19032309
Molecular FormulaC5H14N2
Molecular Weight102.18 g/mol
Exact Mass102.12
IUPAC NameN',2-dimethylpropane-1,3-diamine
SMILESCNCC(C)CN
InChIInChI=1S/C5H14N2/c1-5(3-6)4-7-2/h5,7H,3-4,6H2,1-2H3
InChIKeyHKAXXLXZPQLQHR-UHFFFAOYSA-N
XLogP-0.20
TPSA38.05 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 ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N',2-dimethylpropane-1,3-diamine?
The IUPAC name of N',2-dimethylpropane-1,3-diamine (CID 19032309) is N',2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N',2-dimethylpropane-1,3-diamine?
The canonical SMILES for N',2-dimethylpropane-1,3-diamine is CNCC(C)CN.
What is the InChIKey of N',2-dimethylpropane-1,3-diamine?
The InChIKey is HKAXXLXZPQLQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2/c1-5(3-6)4-7-2/h5,7H,3-4,6H2,1-2H3.
What are the key properties of N',2-dimethylpropane-1,3-diamine?
N',2-dimethylpropane-1,3-diamine has a molecular weight of 102.18 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 19032309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).