(4S)-2-methylpentane-1,4-diamine

C6H16N2 — CID 170201725

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

About (4S)-2-methylpentane-1,4-diamine

(4S)-2-methylpentane-1,4-diamine (PubChem CID 170201725) has the molecular formula C6H16N2 and a molecular weight of 116.21 g/mol. Its IUPAC name is (4S)-2-methylpentane-1,4-diamine.

Molecular Properties

Compound Name(4S)-2-methylpentane-1,4-diamine
PubChem CID170201725
Molecular FormulaC6H16N2
Molecular Weight116.21 g/mol
Exact Mass116.13
IUPAC Name(4S)-2-methylpentane-1,4-diamine
SMILESCC(CN)C[C@H](C)N
InChIInChI=1S/C6H16N2/c1-5(4-7)3-6(2)8/h5-6H,3-4,7-8H2,1-2H3/t5?,6-/m0/s1
InChIKeyACEKLXGWCBIDGA-GDVGLLTNSA-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

4,6-dimethylnonane-2,8-diamine
CID 59264321
(2S)-propane-1,2-diamine
CID 642322
(2S)-4-methylhexan-2-amine
CID 141201507
2,4-dimethylhexane-1,6-diamine;ethane
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2-methylhexane-1,5-diamine
CID 18314368
palladium;propane-1,2-diamine
CID 87255476
ethane;(2S)-2-methylbutan-1-amine
CID 168995641
gold(3+);bis(propane-1,2-diamine);trichloride
CID 73456733
N'-(2-aminopropyl)-2-methylpropane-1,3-diamine
CID 168896832
4,8-dimethylnonan-2-amine
CID 83168373
nonane-2,4,6,8-tetramine
CID 142330039
4,6,6,7-tetramethyloctan-2-amine
CID 91545991

Frequently Asked Questions

What is the IUPAC name of (4S)-2-methylpentane-1,4-diamine?
The IUPAC name of (4S)-2-methylpentane-1,4-diamine (CID 170201725) is (4S)-2-methylpentane-1,4-diamine.
What is the SMILES notation for (4S)-2-methylpentane-1,4-diamine?
The canonical SMILES for (4S)-2-methylpentane-1,4-diamine is CC(CN)C[C@H](C)N.
What is the InChIKey of (4S)-2-methylpentane-1,4-diamine?
The InChIKey is ACEKLXGWCBIDGA-GDVGLLTNSA-N. The full InChI is InChI=1S/C6H16N2/c1-5(4-7)3-6(2)8/h5-6H,3-4,7-8H2,1-2H3/t5?,6-/m0/s1.
What are the key properties of (4S)-2-methylpentane-1,4-diamine?
(4S)-2-methylpentane-1,4-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 (4S)-2-methylpentane-1,4-diamine is sourced from PubChem (CID 170201725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).