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

C5H14N2 — CID 51382069

IUPAC(2S)-2-methylbutane-1,4-diamine
SMILESC[C@H](CN)CCN
InChIInChI=1S/C5H14N2/c1-5(4-7)2-3-6/h5H,2-4,6-7H2,1H3/t5-/m0/s1
InChIKeyGGQJPAQXCYUEKB-YFKPBYRVSA-N
MW102.18 g/mol
LogP-0.07
Rot. Bonds3

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

(2S)-2-methylbutane-1,4-diamine (PubChem CID 51382069) has the molecular formula C5H14N2 and a molecular weight of 102.18 g/mol. Its IUPAC name is (2S)-2-methylbutane-1,4-diamine.

Molecular Properties

Compound Name(2S)-2-methylbutane-1,4-diamine
PubChem CID51382069
Molecular FormulaC5H14N2
Molecular Weight102.18 g/mol
Exact Mass102.12
IUPAC Name(2S)-2-methylbutane-1,4-diamine
SMILESC[C@H](CN)CCN
InChIInChI=1S/C5H14N2/c1-5(4-7)2-3-6/h5H,2-4,6-7H2,1H3/t5-/m0/s1
InChIKeyGGQJPAQXCYUEKB-YFKPBYRVSA-N
XLogP-0.07
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.18
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methylbutane-1,4-diamine?
The IUPAC name of (2S)-2-methylbutane-1,4-diamine (CID 51382069) is (2S)-2-methylbutane-1,4-diamine.
What is the SMILES notation for (2S)-2-methylbutane-1,4-diamine?
The canonical SMILES for (2S)-2-methylbutane-1,4-diamine is C[C@H](CN)CCN.
What is the InChIKey of (2S)-2-methylbutane-1,4-diamine?
The InChIKey is GGQJPAQXCYUEKB-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H14N2/c1-5(4-7)2-3-6/h5H,2-4,6-7H2,1H3/t5-/m0/s1.
What are the key properties of (2S)-2-methylbutane-1,4-diamine?
(2S)-2-methylbutane-1,4-diamine has a molecular weight of 102.18 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methylbutane-1,4-diamine is sourced from PubChem (CID 51382069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).