2,6-dimethyl-1-(propan-2-ylamino)heptan-2-ol

C12H27NO — CID 83168520

IUPAC2,6-dimethyl-1-(propan-2-ylamino)heptan-2-ol
SMILESCC(C)CCCC(C)(O)CNC(C)C
InChIInChI=1S/C12H27NO/c1-10(2)7-6-8-12(5,14)9-13-11(3)4/h10-11,13-14H,6-9H2,1-5H3
InChIKeyFXTHVFVWXSLKAM-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.56
Rot. Bonds7

About 2,6-dimethyl-1-(propan-2-ylamino)heptan-2-ol

2,6-dimethyl-1-(propan-2-ylamino)heptan-2-ol (PubChem CID 83168520) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 2,6-dimethyl-1-(propan-2-ylamino)heptan-2-ol.

Molecular Properties

Compound Name2,6-dimethyl-1-(propan-2-ylamino)heptan-2-ol
PubChem CID83168520
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name2,6-dimethyl-1-(propan-2-ylamino)heptan-2-ol
SMILESCC(C)CCCC(C)(O)CNC(C)C
InChIInChI=1S/C12H27NO/c1-10(2)7-6-8-12(5,14)9-13-11(3)4/h10-11,13-14H,6-9H2,1-5H3
InChIKeyFXTHVFVWXSLKAM-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dimethyl-1-(2-methylpropylamino)heptan-2-ol
CID 83168632
2-methyl-1-(6-methylheptan-2-ylamino)pentan-2-ol
CID 115719490
2,2-diethyl-6-methyl-N-propan-2-ylheptan-1-amine
CID 83169784
1-methoxy-2,6-dimethylheptan-2-ol
CID 83158619
2-hydroxy-2,5-dimethyl-1-(sulfamoylamino)hexane
CID 111450153
2-methyl-1-(propan-2-ylamino)-4-thiophen-3-ylbutan-2-ol
CID 66038197
2,5,8-trimethylnonan-5-ol
CID 58574498
ethyl 3-hydroxy-3,7-dimethyloctanoate
CID 3020061
1-[ethyl(methyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 66335154
N-(2,6-dimethylheptan-2-yl)hydroxylamine
CID 138599633
2,3-dimethyl-1-(propan-2-ylamino)hexan-2-ol
CID 107889072
2,6,6,10-tetramethylundecane-5,5-diol
CID 141261588

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1-(propan-2-ylamino)heptan-2-ol?
The IUPAC name of 2,6-dimethyl-1-(propan-2-ylamino)heptan-2-ol (CID 83168520) is 2,6-dimethyl-1-(propan-2-ylamino)heptan-2-ol.
What is the SMILES notation for 2,6-dimethyl-1-(propan-2-ylamino)heptan-2-ol?
The canonical SMILES for 2,6-dimethyl-1-(propan-2-ylamino)heptan-2-ol is CC(C)CCCC(C)(O)CNC(C)C.
What is the InChIKey of 2,6-dimethyl-1-(propan-2-ylamino)heptan-2-ol?
The InChIKey is FXTHVFVWXSLKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-10(2)7-6-8-12(5,14)9-13-11(3)4/h10-11,13-14H,6-9H2,1-5H3.
What are the key properties of 2,6-dimethyl-1-(propan-2-ylamino)heptan-2-ol?
2,6-dimethyl-1-(propan-2-ylamino)heptan-2-ol has a molecular weight of 201.35 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-(propan-2-ylamino)heptan-2-ol is sourced from PubChem (CID 83168520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).