(2S)-2-N,2-N,3-trimethylbutane-1,2-diamine

C7H18N2 — CID 51624549

IUPAC(2S)-2-N,2-N,3-trimethylbutane-1,2-diamine
SMILESCC(C)[C@@H](CN)N(C)C
InChIInChI=1S/C7H18N2/c1-6(2)7(5-8)9(3)4/h6-7H,5,8H2,1-4H3/t7-/m1/s1
InChIKeyDJVWTEQJNMZOQF-SSDOTTSWSA-N
MW130.23 g/mol
LogP0.53
Rot. Bonds3

About (2S)-2-N,2-N,3-trimethylbutane-1,2-diamine

(2S)-2-N,2-N,3-trimethylbutane-1,2-diamine (PubChem CID 51624549) has the molecular formula C7H18N2 and a molecular weight of 130.23 g/mol. Its IUPAC name is (2S)-2-N,2-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name(2S)-2-N,2-N,3-trimethylbutane-1,2-diamine
PubChem CID51624549
Molecular FormulaC7H18N2
Molecular Weight130.23 g/mol
Exact Mass130.15
IUPAC Name(2S)-2-N,2-N,3-trimethylbutane-1,2-diamine
SMILESCC(C)[C@@H](CN)N(C)C
InChIInChI=1S/C7H18N2/c1-6(2)7(5-8)9(3)4/h6-7H,5,8H2,1-4H3/t7-/m1/s1
InChIKeyDJVWTEQJNMZOQF-SSDOTTSWSA-N
XLogP0.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-N,2-N,3-trimethylbutane-1,2-diamine?
The IUPAC name of (2S)-2-N,2-N,3-trimethylbutane-1,2-diamine (CID 51624549) is (2S)-2-N,2-N,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for (2S)-2-N,2-N,3-trimethylbutane-1,2-diamine?
The canonical SMILES for (2S)-2-N,2-N,3-trimethylbutane-1,2-diamine is CC(C)[C@@H](CN)N(C)C.
What is the InChIKey of (2S)-2-N,2-N,3-trimethylbutane-1,2-diamine?
The InChIKey is DJVWTEQJNMZOQF-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H18N2/c1-6(2)7(5-8)9(3)4/h6-7H,5,8H2,1-4H3/t7-/m1/s1.
What are the key properties of (2S)-2-N,2-N,3-trimethylbutane-1,2-diamine?
(2S)-2-N,2-N,3-trimethylbutane-1,2-diamine has a molecular weight of 130.23 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N,2-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 51624549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).