(2R,3S)-3,4,4-trimethyl-2-N-propan-2-ylpentane-2,3-diamine

C11H26N2 — CID 163824497

IUPAC(2R,3S)-3,4,4-trimethyl-2-N-propan-2-ylpentane-2,3-diamine
SMILESCC(C)N[C@H](C)[C@@](C)(N)C(C)(C)C
InChIInChI=1S/C11H26N2/c1-8(2)13-9(3)11(7,12)10(4,5)6/h8-9,13H,12H2,1-7H3/t9-,11-/m1/s1
InChIKeyNYGVSTRJYKRODK-MWLCHTKSSA-N
MW186.34 g/mol
LogP2.14
Rot. Bonds3

About (2R,3S)-3,4,4-trimethyl-2-N-propan-2-ylpentane-2,3-diamine

(2R,3S)-3,4,4-trimethyl-2-N-propan-2-ylpentane-2,3-diamine (PubChem CID 163824497) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is (2R,3S)-3,4,4-trimethyl-2-N-propan-2-ylpentane-2,3-diamine.

Molecular Properties

Compound Name(2R,3S)-3,4,4-trimethyl-2-N-propan-2-ylpentane-2,3-diamine
PubChem CID163824497
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name(2R,3S)-3,4,4-trimethyl-2-N-propan-2-ylpentane-2,3-diamine
SMILESCC(C)N[C@H](C)[C@@](C)(N)C(C)(C)C
InChIInChI=1S/C11H26N2/c1-8(2)13-9(3)11(7,12)10(4,5)6/h8-9,13H,12H2,1-7H3/t9-,11-/m1/s1
InChIKeyNYGVSTRJYKRODK-MWLCHTKSSA-N
XLogP2.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R,3S)-3,4,4-trimethyl-2-N-propan-2-ylpentane-2,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3,4,4-trimethyl-2-N-propan-2-ylpentane-2,3-diamine?
The IUPAC name of (2R,3S)-3,4,4-trimethyl-2-N-propan-2-ylpentane-2,3-diamine (CID 163824497) is (2R,3S)-3,4,4-trimethyl-2-N-propan-2-ylpentane-2,3-diamine.
What is the SMILES notation for (2R,3S)-3,4,4-trimethyl-2-N-propan-2-ylpentane-2,3-diamine?
The canonical SMILES for (2R,3S)-3,4,4-trimethyl-2-N-propan-2-ylpentane-2,3-diamine is CC(C)N[C@H](C)[C@@](C)(N)C(C)(C)C.
What is the InChIKey of (2R,3S)-3,4,4-trimethyl-2-N-propan-2-ylpentane-2,3-diamine?
The InChIKey is NYGVSTRJYKRODK-MWLCHTKSSA-N. The full InChI is InChI=1S/C11H26N2/c1-8(2)13-9(3)11(7,12)10(4,5)6/h8-9,13H,12H2,1-7H3/t9-,11-/m1/s1.
What are the key properties of (2R,3S)-3,4,4-trimethyl-2-N-propan-2-ylpentane-2,3-diamine?
(2R,3S)-3,4,4-trimethyl-2-N-propan-2-ylpentane-2,3-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3,4,4-trimethyl-2-N-propan-2-ylpentane-2,3-diamine is sourced from PubChem (CID 163824497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).