(4S)-2-methylpentane-2,4-diamine

C6H16N2 — CID 55284810

IUPAC(4S)-2-methylpentane-2,4-diamine
SMILESC[C@H](N)CC(C)(C)N
InChIInChI=1S/C6H16N2/c1-5(7)4-6(2,3)8/h5H,4,7-8H2,1-3H3/t5-/m0/s1
InChIKeyPCXAQLMRLMZKRL-YFKPBYRVSA-N
MW116.21 g/mol
LogP0.46
Rot. Bonds2

About (4S)-2-methylpentane-2,4-diamine

(4S)-2-methylpentane-2,4-diamine (PubChem CID 55284810) has the molecular formula C6H16N2 and a molecular weight of 116.21 g/mol. Its IUPAC name is (4S)-2-methylpentane-2,4-diamine.

Molecular Properties

Compound Name(4S)-2-methylpentane-2,4-diamine
PubChem CID55284810
Molecular FormulaC6H16N2
Molecular Weight116.21 g/mol
Exact Mass116.13
IUPAC Name(4S)-2-methylpentane-2,4-diamine
SMILESC[C@H](N)CC(C)(C)N
InChIInChI=1S/C6H16N2/c1-5(7)4-6(2,3)8/h5H,4,7-8H2,1-3H3/t5-/m0/s1
InChIKeyPCXAQLMRLMZKRL-YFKPBYRVSA-N
XLogP0.46
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.21
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-4,4-dimethylpentan-2-amine;hydrochloride
CID 164901043
(4S)-2,4,6,6-tetramethylheptan-2-amine
CID 167006603
2,7-dimethyloctane-2,4-diamine
CID 57200286
2-methyl-4-N-(2-methylpropyl)pentane-2,4-diamine
CID 88754730
2-[4-(2,4-diaminopentan-2-yl)phenyl]pentane-2,4-diamine
CID 135349838
5-bromo-4,4-dimethylpentan-2-amine
CID 126606470
4-amino-2,2-dimethylpentane-1-thiol
CID 89113826
2-methyl-4-propan-2-yloxypentan-2-amine
CID 126737676
(2S)-2,4-diamino-4-methylpentanoic acid
CID 54315966
4,4,5-trimethylheptan-2-amine
CID 79446390
3,6-diamino-4,6-dimethylheptan-2-one
CID 130436042
4-amino-2,4-dimethylpentanoic acid
CID 20501045

Frequently Asked Questions

What is the IUPAC name of (4S)-2-methylpentane-2,4-diamine?
The IUPAC name of (4S)-2-methylpentane-2,4-diamine (CID 55284810) is (4S)-2-methylpentane-2,4-diamine.
What is the SMILES notation for (4S)-2-methylpentane-2,4-diamine?
The canonical SMILES for (4S)-2-methylpentane-2,4-diamine is C[C@H](N)CC(C)(C)N.
What is the InChIKey of (4S)-2-methylpentane-2,4-diamine?
The InChIKey is PCXAQLMRLMZKRL-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H16N2/c1-5(7)4-6(2,3)8/h5H,4,7-8H2,1-3H3/t5-/m0/s1.
What are the key properties of (4S)-2-methylpentane-2,4-diamine?
(4S)-2-methylpentane-2,4-diamine has a molecular weight of 116.21 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-methylpentane-2,4-diamine is sourced from PubChem (CID 55284810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).