2-methyl-1-[[(2R)-nonan-2-yl]amino]propan-2-ol

C13H29NO — CID 98118384

IUPAC2-methyl-1-[[(2R)-nonan-2-yl]amino]propan-2-ol
SMILESCCCCCCC[C@@H](C)NCC(C)(C)O
InChIInChI=1S/C13H29NO/c1-5-6-7-8-9-10-12(2)14-11-13(3,4)15/h12,14-15H,5-11H2,1-4H3/t12-/m1/s1
InChIKeyYUTBGEMUGABXBD-GFCCVEGCSA-N
MW215.38 g/mol
LogP3.10
Rot. Bonds9

About 2-methyl-1-[[(2R)-nonan-2-yl]amino]propan-2-ol

2-methyl-1-[[(2R)-nonan-2-yl]amino]propan-2-ol (PubChem CID 98118384) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 2-methyl-1-[[(2R)-nonan-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[[(2R)-nonan-2-yl]amino]propan-2-ol
PubChem CID98118384
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name2-methyl-1-[[(2R)-nonan-2-yl]amino]propan-2-ol
SMILESCCCCCCC[C@@H](C)NCC(C)(C)O
InChIInChI=1S/C13H29NO/c1-5-6-7-8-9-10-12(2)14-11-13(3,4)15/h12,14-15H,5-11H2,1-4H3/t12-/m1/s1
InChIKeyYUTBGEMUGABXBD-GFCCVEGCSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(pentan-2-ylamino)propan-2-ol
CID 60885275
1-(heptan-2-ylamino)-2,3-dimethylpentan-2-ol
CID 115719513
2,2-dimethyl-3-(octan-2-ylamino)propanoic acid
CID 79623645
N-(2,2,2-trifluoroethyl)nonan-2-amine
CID 43129666
N-(2-methoxy-2-methylpropyl)nonan-2-amine
CID 104759526
1-(heptan-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 115722418
1-(octan-2-ylamino)-2-phenylpropan-2-ol
CID 62373527
methyl 3-(heptan-2-ylamino)-2,2-dimethylpropanoate
CID 79623539
N-[2-methyl-1-(nonan-2-ylamino)propan-2-yl]methanesulfonamide
CID 63858933
N-octan-2-ylnonan-1-amine
CID 63491715
N-heptan-2-ylheptan-1-amine
CID 43572726
N-butylundecan-2-amine
CID 90035852

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[(2R)-nonan-2-yl]amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[[(2R)-nonan-2-yl]amino]propan-2-ol (CID 98118384) is 2-methyl-1-[[(2R)-nonan-2-yl]amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[[(2R)-nonan-2-yl]amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[[(2R)-nonan-2-yl]amino]propan-2-ol is CCCCCCC[C@@H](C)NCC(C)(C)O.
What is the InChIKey of 2-methyl-1-[[(2R)-nonan-2-yl]amino]propan-2-ol?
The InChIKey is YUTBGEMUGABXBD-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H29NO/c1-5-6-7-8-9-10-12(2)14-11-13(3,4)15/h12,14-15H,5-11H2,1-4H3/t12-/m1/s1.
What are the key properties of 2-methyl-1-[[(2R)-nonan-2-yl]amino]propan-2-ol?
2-methyl-1-[[(2R)-nonan-2-yl]amino]propan-2-ol has a molecular weight of 215.38 g/mol, XLogP of 3.10, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[(2R)-nonan-2-yl]amino]propan-2-ol is sourced from PubChem (CID 98118384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).