(3R)-butane-2,3-diamine

C4H12N2 — CID 172719520

IUPAC(3R)-butane-2,3-diamine
SMILESCC(N)[C@@H](C)N
InChIInChI=1S/C4H12N2/c1-3(5)4(2)6/h3-4H,5-6H2,1-2H3/t3-,4?/m1/s1
InChIKeyGHWVXCQZPNWFRO-SYPWQXSBSA-N
MW88.15 g/mol
LogP-0.32
Rot. Bonds1

About (3R)-butane-2,3-diamine

(3R)-butane-2,3-diamine (PubChem CID 172719520) has the molecular formula C4H12N2 and a molecular weight of 88.15 g/mol. Its IUPAC name is (3R)-butane-2,3-diamine.

Molecular Properties

Compound Name(3R)-butane-2,3-diamine
PubChem CID172719520
Molecular FormulaC4H12N2
Molecular Weight88.15 g/mol
Exact Mass88.10
IUPAC Name(3R)-butane-2,3-diamine
SMILESCC(N)[C@@H](C)N
InChIInChI=1S/C4H12N2/c1-3(5)4(2)6/h3-4H,5-6H2,1-2H3/t3-,4?/m1/s1
InChIKeyGHWVXCQZPNWFRO-SYPWQXSBSA-N
XLogP-0.32
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.15
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-butane-2,3-diamine?
The IUPAC name of (3R)-butane-2,3-diamine (CID 172719520) is (3R)-butane-2,3-diamine.
What is the SMILES notation for (3R)-butane-2,3-diamine?
The canonical SMILES for (3R)-butane-2,3-diamine is CC(N)[C@@H](C)N.
What is the InChIKey of (3R)-butane-2,3-diamine?
The InChIKey is GHWVXCQZPNWFRO-SYPWQXSBSA-N. The full InChI is InChI=1S/C4H12N2/c1-3(5)4(2)6/h3-4H,5-6H2,1-2H3/t3-,4?/m1/s1.
What are the key properties of (3R)-butane-2,3-diamine?
(3R)-butane-2,3-diamine has a molecular weight of 88.15 g/mol, XLogP of -0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-butane-2,3-diamine is sourced from PubChem (CID 172719520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).