2-[heptyl(methyl)amino]-2-methylpropan-1-ol

C12H27NO — CID 115644310

IUPAC2-[heptyl(methyl)amino]-2-methylpropan-1-ol
SMILESCCCCCCCN(C)C(C)(C)CO
InChIInChI=1S/C12H27NO/c1-5-6-7-8-9-10-13(4)12(2,3)11-14/h14H,5-11H2,1-4H3
InChIKeyZDDAFUKGLPDTCO-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.66
Rot. Bonds8

About 2-[heptyl(methyl)amino]-2-methylpropan-1-ol

2-[heptyl(methyl)amino]-2-methylpropan-1-ol (PubChem CID 115644310) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 2-[heptyl(methyl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[heptyl(methyl)amino]-2-methylpropan-1-ol
PubChem CID115644310
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name2-[heptyl(methyl)amino]-2-methylpropan-1-ol
SMILESCCCCCCCN(C)C(C)(C)CO
InChIInChI=1S/C12H27NO/c1-5-6-7-8-9-10-13(4)12(2,3)11-14/h14H,5-11H2,1-4H3
InChIKeyZDDAFUKGLPDTCO-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[heptyl(methyl)amino]-2-methylpropan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

N-methyl-N-(2-methylbutan-2-yl)hexan-1-amine
CID 167034677
1-[dodecyl(methyl)amino]ethane-1,1-diol;hydrochloride
CID 173001093
2-[4-methoxybutyl(methyl)amino]-2-methylpropan-1-ol
CID 115638029
N-methyl-N-nonadecylhydroxylamine
CID 87390757
2-methyl-2-[methyl(3-methylsulfanylpropyl)amino]propan-1-ol
CID 115665583
2-N,2-dimethyl-2-N-pentylbutane-1,2-diamine
CID 43294696
2-N,2-dimethyl-2-N-pentylnonane-1,2-diamine
CID 43294671
N-methyl-N-(2-methylnonan-2-yl)hydroxylamine
CID 159576424
2-ethyl-2-N-hexyl-2-N-methylbutane-1,2-diamine
CID 62008988
N-decyl-N-dodecylhydroxylamine
CID 151707485
N,N-di(heptadecyl)hydroxylamine
CID 71426964
2-[1-aminopropyl(pentyl)amino]-2-methylpropan-1-ol
CID 175233404

Frequently Asked Questions

What is the IUPAC name of 2-[heptyl(methyl)amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[heptyl(methyl)amino]-2-methylpropan-1-ol (CID 115644310) is 2-[heptyl(methyl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[heptyl(methyl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[heptyl(methyl)amino]-2-methylpropan-1-ol is CCCCCCCN(C)C(C)(C)CO.
What is the InChIKey of 2-[heptyl(methyl)amino]-2-methylpropan-1-ol?
The InChIKey is ZDDAFUKGLPDTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-5-6-7-8-9-10-13(4)12(2,3)11-14/h14H,5-11H2,1-4H3.
What are the key properties of 2-[heptyl(methyl)amino]-2-methylpropan-1-ol?
2-[heptyl(methyl)amino]-2-methylpropan-1-ol has a molecular weight of 201.35 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[heptyl(methyl)amino]-2-methylpropan-1-ol is sourced from PubChem (CID 115644310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).