(2R,3S)-3-methylpentane-1,2-diamine

C6H16N2 — CID 93094304

IUPAC(2R,3S)-3-methylpentane-1,2-diamine
SMILESCC[C@H](C)[C@@H](N)CN
InChIInChI=1S/C6H16N2/c1-3-5(2)6(8)4-7/h5-6H,3-4,7-8H2,1-2H3/t5-,6-/m0/s1
InChIKeyRZPLEXWIJYXQKX-WDSKDSINSA-N
MW116.21 g/mol
LogP0.32
Rot. Bonds3

About (2R,3S)-3-methylpentane-1,2-diamine

(2R,3S)-3-methylpentane-1,2-diamine (PubChem CID 93094304) has the molecular formula C6H16N2 and a molecular weight of 116.21 g/mol. Its IUPAC name is (2R,3S)-3-methylpentane-1,2-diamine.

Molecular Properties

Compound Name(2R,3S)-3-methylpentane-1,2-diamine
PubChem CID93094304
Molecular FormulaC6H16N2
Molecular Weight116.21 g/mol
Exact Mass116.13
IUPAC Name(2R,3S)-3-methylpentane-1,2-diamine
SMILESCC[C@H](C)[C@@H](N)CN
InChIInChI=1S/C6H16N2/c1-3-5(2)6(8)4-7/h5-6H,3-4,7-8H2,1-2H3/t5-,6-/m0/s1
InChIKeyRZPLEXWIJYXQKX-WDSKDSINSA-N
XLogP0.32
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 ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-2,5-dimethylheptan-4-amine
CID 145304890
6-ethyl-3-methyloctan-4-amine
CID 82922428
(2S,3S)-1-methoxy-3-methylpentan-2-amine
CID 28802418
(2S)-1-methoxy-3-methylpentan-2-amine
CID 55263175
(3R,4R,5R,6S)-3,6-dimethyloctane-4,5-diamine
CID 101057431
3-methoxypentane-1,2-diamine
CID 131111146
(3R)-4,5-dimethylheptan-3-amine
CID 163978078
3,6,7,8-tetramethylnonan-4-amine
CID 138714564
(2S)-1,2-diaminopentan-3-ol
CID 129142351
3-methyl-1-propoxypentan-2-amine
CID 79446501
3-methyldecan-4-amine
CID 63719252
3,6,6-trimethyloctan-4-amine
CID 89008923

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-methylpentane-1,2-diamine?
The IUPAC name of (2R,3S)-3-methylpentane-1,2-diamine (CID 93094304) is (2R,3S)-3-methylpentane-1,2-diamine.
What is the SMILES notation for (2R,3S)-3-methylpentane-1,2-diamine?
The canonical SMILES for (2R,3S)-3-methylpentane-1,2-diamine is CC[C@H](C)[C@@H](N)CN.
What is the InChIKey of (2R,3S)-3-methylpentane-1,2-diamine?
The InChIKey is RZPLEXWIJYXQKX-WDSKDSINSA-N. The full InChI is InChI=1S/C6H16N2/c1-3-5(2)6(8)4-7/h5-6H,3-4,7-8H2,1-2H3/t5-,6-/m0/s1.
What are the key properties of (2R,3S)-3-methylpentane-1,2-diamine?
(2R,3S)-3-methylpentane-1,2-diamine has a molecular weight of 116.21 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-methylpentane-1,2-diamine is sourced from PubChem (CID 93094304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).