1-(heptan-2-ylamino)-2,3-dimethylpentan-2-ol

C14H31NO — CID 115719513

IUPAC1-(heptan-2-ylamino)-2,3-dimethylpentan-2-ol
SMILESCCCCCC(C)NCC(C)(O)C(C)CC
InChIInChI=1S/C14H31NO/c1-6-8-9-10-13(4)15-11-14(5,16)12(3)7-2/h12-13,15-16H,6-11H2,1-5H3
InChIKeyLVPLMRSWCACOAQ-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.34
Rot. Bonds9

About 1-(heptan-2-ylamino)-2,3-dimethylpentan-2-ol

1-(heptan-2-ylamino)-2,3-dimethylpentan-2-ol (PubChem CID 115719513) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 1-(heptan-2-ylamino)-2,3-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(heptan-2-ylamino)-2,3-dimethylpentan-2-ol
PubChem CID115719513
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name1-(heptan-2-ylamino)-2,3-dimethylpentan-2-ol
SMILESCCCCCC(C)NCC(C)(O)C(C)CC
InChIInChI=1S/C14H31NO/c1-6-8-9-10-13(4)15-11-14(5,16)12(3)7-2/h12-13,15-16H,6-11H2,1-5H3
InChIKeyLVPLMRSWCACOAQ-UHFFFAOYSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.34
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-[[(2R)-nonan-2-yl]amino]propan-2-ol
CID 98118384
2,3-dimethyl-1-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol
CID 115901030
N-(2,2,2-trifluoroethyl)nonan-2-amine
CID 43129666
1-(heptan-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 115722418
2,2-dimethyl-3-(octan-2-ylamino)propanoic acid
CID 79623645
methyl 3-(heptan-2-ylamino)-2,2-dimethylpropanoate
CID 79623539
2,3-dimethyl-1-(4-pyrazol-1-ylbutan-2-ylamino)pentan-2-ol
CID 110012210
N-(2-methoxy-2-methylpropyl)nonan-2-amine
CID 104759526
1-(octan-2-ylamino)-2-phenylpropan-2-ol
CID 62373527
1-(1-cyclopropylbutylamino)-2,3-dimethylpentan-2-ol
CID 115769996
2,3-dimethyl-1-(propan-2-ylamino)hexan-2-ol
CID 107889072
2-methyl-1-(pentan-2-ylamino)propan-2-ol
CID 60885275

Frequently Asked Questions

What is the IUPAC name of 1-(heptan-2-ylamino)-2,3-dimethylpentan-2-ol?
The IUPAC name of 1-(heptan-2-ylamino)-2,3-dimethylpentan-2-ol (CID 115719513) is 1-(heptan-2-ylamino)-2,3-dimethylpentan-2-ol.
What is the SMILES notation for 1-(heptan-2-ylamino)-2,3-dimethylpentan-2-ol?
The canonical SMILES for 1-(heptan-2-ylamino)-2,3-dimethylpentan-2-ol is CCCCCC(C)NCC(C)(O)C(C)CC.
What is the InChIKey of 1-(heptan-2-ylamino)-2,3-dimethylpentan-2-ol?
The InChIKey is LVPLMRSWCACOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-6-8-9-10-13(4)15-11-14(5,16)12(3)7-2/h12-13,15-16H,6-11H2,1-5H3.
What are the key properties of 1-(heptan-2-ylamino)-2,3-dimethylpentan-2-ol?
1-(heptan-2-ylamino)-2,3-dimethylpentan-2-ol has a molecular weight of 229.41 g/mol, XLogP of 3.34, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(heptan-2-ylamino)-2,3-dimethylpentan-2-ol is sourced from PubChem (CID 115719513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).