(3R)-1-N-methylbutane-1,3-diamine

C5H14N2 — CID 58015291

IUPAC(3R)-1-N-methylbutane-1,3-diamine
SMILESCNCC[C@@H](C)N
InChIInChI=1S/C5H14N2/c1-5(6)3-4-7-2/h5,7H,3-4,6H2,1-2H3/t5-/m1/s1
InChIKeyZOKREBLWJYZZLL-RXMQYKEDSA-N
MW102.18 g/mol
LogP-0.06
Rot. Bonds3

About (3R)-1-N-methylbutane-1,3-diamine

(3R)-1-N-methylbutane-1,3-diamine (PubChem CID 58015291) has the molecular formula C5H14N2 and a molecular weight of 102.18 g/mol. Its IUPAC name is (3R)-1-N-methylbutane-1,3-diamine.

Molecular Properties

Compound Name(3R)-1-N-methylbutane-1,3-diamine
PubChem CID58015291
Molecular FormulaC5H14N2
Molecular Weight102.18 g/mol
Exact Mass102.12
IUPAC Name(3R)-1-N-methylbutane-1,3-diamine
SMILESCNCC[C@@H](C)N
InChIInChI=1S/C5H14N2/c1-5(6)3-4-7-2/h5,7H,3-4,6H2,1-2H3/t5-/m1/s1
InChIKeyZOKREBLWJYZZLL-RXMQYKEDSA-N
XLogP-0.06
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 ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-N-methylbutane-1,3-diamine?
The IUPAC name of (3R)-1-N-methylbutane-1,3-diamine (CID 58015291) is (3R)-1-N-methylbutane-1,3-diamine.
What is the SMILES notation for (3R)-1-N-methylbutane-1,3-diamine?
The canonical SMILES for (3R)-1-N-methylbutane-1,3-diamine is CNCC[C@@H](C)N.
What is the InChIKey of (3R)-1-N-methylbutane-1,3-diamine?
The InChIKey is ZOKREBLWJYZZLL-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H14N2/c1-5(6)3-4-7-2/h5,7H,3-4,6H2,1-2H3/t5-/m1/s1.
What are the key properties of (3R)-1-N-methylbutane-1,3-diamine?
(3R)-1-N-methylbutane-1,3-diamine has a molecular weight of 102.18 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-N-methylbutane-1,3-diamine is sourced from PubChem (CID 58015291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).