(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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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).