3-N,3-dimethylbutane-1,3-diamine

C6H16N2 — CID 89269662

IUPAC3-N,3-dimethylbutane-1,3-diamine
SMILESCNC(C)(C)CCN
InChIInChI=1S/C6H16N2/c1-6(2,8-3)4-5-7/h8H,4-5,7H2,1-3H3
InChIKeyNYMUFPYZUWOCSU-UHFFFAOYSA-N
MW116.21 g/mol
LogP0.33
Rot. Bonds3

About 3-N,3-dimethylbutane-1,3-diamine

3-N,3-dimethylbutane-1,3-diamine (PubChem CID 89269662) has the molecular formula C6H16N2 and a molecular weight of 116.21 g/mol. Its IUPAC name is 3-N,3-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N,3-dimethylbutane-1,3-diamine
PubChem CID89269662
Molecular FormulaC6H16N2
Molecular Weight116.21 g/mol
Exact Mass116.13
IUPAC Name3-N,3-dimethylbutane-1,3-diamine
SMILESCNC(C)(C)CCN
InChIInChI=1S/C6H16N2/c1-6(2,8-3)4-5-7/h8H,4-5,7H2,1-3H3
InChIKeyNYMUFPYZUWOCSU-UHFFFAOYSA-N
XLogP0.33
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.21
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N,3-dimethylbutane-1,3-diamine (CID 89269662) is 3-N,3-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N,3-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N,3-dimethylbutane-1,3-diamine is CNC(C)(C)CCN.
What is the InChIKey of 3-N,3-dimethylbutane-1,3-diamine?
The InChIKey is NYMUFPYZUWOCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2/c1-6(2,8-3)4-5-7/h8H,4-5,7H2,1-3H3.
What are the key properties of 3-N,3-dimethylbutane-1,3-diamine?
3-N,3-dimethylbutane-1,3-diamine has a molecular weight of 116.21 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-dimethylbutane-1,3-diamine is sourced from PubChem (CID 89269662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).