(2R)-3-N-methylbutane-2,3-diamine

C5H14N2 — CID 138713984

IUPAC(2R)-3-N-methylbutane-2,3-diamine
SMILESCNC(C)[C@@H](C)N
InChIInChI=1S/C5H14N2/c1-4(6)5(2)7-3/h4-5,7H,6H2,1-3H3/t4-,5?/m1/s1
InChIKeyZAFKWADGQSJLBQ-CNZKWPKMSA-N
MW102.18 g/mol
LogP-0.06
Rot. Bonds2

About (2R)-3-N-methylbutane-2,3-diamine

(2R)-3-N-methylbutane-2,3-diamine (PubChem CID 138713984) has the molecular formula C5H14N2 and a molecular weight of 102.18 g/mol. Its IUPAC name is (2R)-3-N-methylbutane-2,3-diamine.

Molecular Properties

Compound Name(2R)-3-N-methylbutane-2,3-diamine
PubChem CID138713984
Molecular FormulaC5H14N2
Molecular Weight102.18 g/mol
Exact Mass102.12
IUPAC Name(2R)-3-N-methylbutane-2,3-diamine
SMILESCNC(C)[C@@H](C)N
InChIInChI=1S/C5H14N2/c1-4(6)5(2)7-3/h4-5,7H,6H2,1-3H3/t4-,5?/m1/s1
InChIKeyZAFKWADGQSJLBQ-CNZKWPKMSA-N
XLogP-0.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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 (2R)-3-N-methylbutane-2,3-diamine?
The IUPAC name of (2R)-3-N-methylbutane-2,3-diamine (CID 138713984) is (2R)-3-N-methylbutane-2,3-diamine.
What is the SMILES notation for (2R)-3-N-methylbutane-2,3-diamine?
The canonical SMILES for (2R)-3-N-methylbutane-2,3-diamine is CNC(C)[C@@H](C)N.
What is the InChIKey of (2R)-3-N-methylbutane-2,3-diamine?
The InChIKey is ZAFKWADGQSJLBQ-CNZKWPKMSA-N. The full InChI is InChI=1S/C5H14N2/c1-4(6)5(2)7-3/h4-5,7H,6H2,1-3H3/t4-,5?/m1/s1.
What are the key properties of (2R)-3-N-methylbutane-2,3-diamine?
(2R)-3-N-methylbutane-2,3-diamine has a molecular weight of 102.18 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-N-methylbutane-2,3-diamine is sourced from PubChem (CID 138713984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).