(1R,2R)-1,2-diamino-4-methylpentan-1-ol

C6H16N2O — CID 141008586

IUPAC(1R,2R)-1,2-diamino-4-methylpentan-1-ol
SMILESCC(C)C[C@@H](N)[C@H](N)O
InChIInChI=1S/C6H16N2O/c1-4(2)3-5(7)6(8)9/h4-6,9H,3,7-8H2,1-2H3/t5-,6-/m1/s1
InChIKeyGCLLKIVQAFOBBX-PHDIDXHHSA-N
MW132.21 g/mol
LogP-0.36
Rot. Bonds3

About (1R,2R)-1,2-diamino-4-methylpentan-1-ol

(1R,2R)-1,2-diamino-4-methylpentan-1-ol (PubChem CID 141008586) has the molecular formula C6H16N2O and a molecular weight of 132.21 g/mol. Its IUPAC name is (1R,2R)-1,2-diamino-4-methylpentan-1-ol.

Molecular Properties

Compound Name(1R,2R)-1,2-diamino-4-methylpentan-1-ol
PubChem CID141008586
Molecular FormulaC6H16N2O
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC Name(1R,2R)-1,2-diamino-4-methylpentan-1-ol
SMILESCC(C)C[C@@H](N)[C@H](N)O
InChIInChI=1S/C6H16N2O/c1-4(2)3-5(7)6(8)9/h4-6,9H,3,7-8H2,1-2H3/t5-,6-/m1/s1
InChIKeyGCLLKIVQAFOBBX-PHDIDXHHSA-N
XLogP-0.36
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(4S,6R)-4,6-diamino-2,8-dimethylnonan-5-ol
CID 10512329
5-amino-2,7-dimethyloctan-4-ol
CID 54358847
3-amino-5-methylhexane-1,2-diol
CID 85255378
2-amino-1-cyclopropyl-4-methylpentan-1-ol
CID 62762197
(2R,3S,4S)-4-amino-2,6-dimethylheptane-1,3-diol
CID 137347836
5-amino-2-methylheptan-4-ol
CID 21419745
(2S)-1,1-difluoro-4-methylpentan-2-amine
CID 130038441
4-amino-6-methylheptan-3-ol;carbonic acid
CID 88724279
(3S,4S)-4-amino-3-hydroxy-6-methylheptanoic acid
CID 157049939
(4S)-2,5-dimethylheptan-4-amine
CID 145304890
4-amino-1-methoxy-2,6-dimethylheptan-3-ol
CID 116502132
(2S)-2-amino-N-[(2R,3S)-3-amino-2-hydroxy-5-methylhexyl]-4-methylpentanamide
CID 88667653

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1,2-diamino-4-methylpentan-1-ol?
The IUPAC name of (1R,2R)-1,2-diamino-4-methylpentan-1-ol (CID 141008586) is (1R,2R)-1,2-diamino-4-methylpentan-1-ol.
What is the SMILES notation for (1R,2R)-1,2-diamino-4-methylpentan-1-ol?
The canonical SMILES for (1R,2R)-1,2-diamino-4-methylpentan-1-ol is CC(C)C[C@@H](N)[C@H](N)O.
What is the InChIKey of (1R,2R)-1,2-diamino-4-methylpentan-1-ol?
The InChIKey is GCLLKIVQAFOBBX-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H16N2O/c1-4(2)3-5(7)6(8)9/h4-6,9H,3,7-8H2,1-2H3/t5-,6-/m1/s1.
What are the key properties of (1R,2R)-1,2-diamino-4-methylpentan-1-ol?
(1R,2R)-1,2-diamino-4-methylpentan-1-ol has a molecular weight of 132.21 g/mol, XLogP of -0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1,2-diamino-4-methylpentan-1-ol is sourced from PubChem (CID 141008586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).