(3S)-2,3-dimethylbutane-1,4-diamine

C6H16N2 — CID 87997033

IUPAC(3S)-2,3-dimethylbutane-1,4-diamine
SMILESCC(CN)[C@H](C)CN
InChIInChI=1S/C6H16N2/c1-5(3-7)6(2)4-8/h5-6H,3-4,7-8H2,1-2H3/t5-,6?/m1/s1
InChIKeyRMIUJCRSUIITNG-LWOQYNTDSA-N
MW116.21 g/mol
LogP0.18
Rot. Bonds3

About (3S)-2,3-dimethylbutane-1,4-diamine

(3S)-2,3-dimethylbutane-1,4-diamine (PubChem CID 87997033) has the molecular formula C6H16N2 and a molecular weight of 116.21 g/mol. Its IUPAC name is (3S)-2,3-dimethylbutane-1,4-diamine.

Molecular Properties

Compound Name(3S)-2,3-dimethylbutane-1,4-diamine
PubChem CID87997033
Molecular FormulaC6H16N2
Molecular Weight116.21 g/mol
Exact Mass116.13
IUPAC Name(3S)-2,3-dimethylbutane-1,4-diamine
SMILESCC(CN)[C@H](C)CN
InChIInChI=1S/C6H16N2/c1-5(3-7)6(2)4-8/h5-6H,3-4,7-8H2,1-2H3/t5-,6?/m1/s1
InChIKeyRMIUJCRSUIITNG-LWOQYNTDSA-N
XLogP0.18
TPSA52.04 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 ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethylhex-5-yn-1-amine
CID 81011283
2,3-dimethylpentane-1,4-diamine
CID 23031274
4-amino-3-methylbutan-2-ol;methane
CID 158476628
2-methylpentane-1,3,4-triamine
CID 172814468
(2R,3R)-4-amino-2,3-dimethylbutanenitrile;hydrate
CID 141007574
2,3-dimethylpentadecan-1-amine
CID 81010439
aminomethyl(trimethyl)phosphanium;carbanide
CID 159656059
2-methylpropan-1-amine;dihydrobromide
CID 172812560
(2S)-propane-1,2-diamine
CID 642322
2-methyl-3-N-phosphanylbutane-1,3-diamine
CID 167106466
2,3-dimethyloct-6-yn-1-amine
CID 104813748
4-(1,3-dioxolan-2-yl)-2,3-dimethylbutan-1-amine
CID 70442959

Frequently Asked Questions

What is the IUPAC name of (3S)-2,3-dimethylbutane-1,4-diamine?
The IUPAC name of (3S)-2,3-dimethylbutane-1,4-diamine (CID 87997033) is (3S)-2,3-dimethylbutane-1,4-diamine.
What is the SMILES notation for (3S)-2,3-dimethylbutane-1,4-diamine?
The canonical SMILES for (3S)-2,3-dimethylbutane-1,4-diamine is CC(CN)[C@H](C)CN.
What is the InChIKey of (3S)-2,3-dimethylbutane-1,4-diamine?
The InChIKey is RMIUJCRSUIITNG-LWOQYNTDSA-N. The full InChI is InChI=1S/C6H16N2/c1-5(3-7)6(2)4-8/h5-6H,3-4,7-8H2,1-2H3/t5-,6?/m1/s1.
What are the key properties of (3S)-2,3-dimethylbutane-1,4-diamine?
(3S)-2,3-dimethylbutane-1,4-diamine has a molecular weight of 116.21 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,3-dimethylbutane-1,4-diamine is sourced from PubChem (CID 87997033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).