2,6-dimethyl-1-(2-methylpropylamino)heptan-2-ol

C13H29NO — CID 83168632

IUPAC2,6-dimethyl-1-(2-methylpropylamino)heptan-2-ol
SMILESCC(C)CCCC(C)(O)CNCC(C)C
InChIInChI=1S/C13H29NO/c1-11(2)7-6-8-13(5,15)10-14-9-12(3)4/h11-12,14-15H,6-10H2,1-5H3
InChIKeyUGAGZKKMBKLILY-UHFFFAOYSA-N
MW215.38 g/mol
LogP2.81
Rot. Bonds8

About 2,6-dimethyl-1-(2-methylpropylamino)heptan-2-ol

2,6-dimethyl-1-(2-methylpropylamino)heptan-2-ol (PubChem CID 83168632) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 2,6-dimethyl-1-(2-methylpropylamino)heptan-2-ol.

Molecular Properties

Compound Name2,6-dimethyl-1-(2-methylpropylamino)heptan-2-ol
PubChem CID83168632
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name2,6-dimethyl-1-(2-methylpropylamino)heptan-2-ol
SMILESCC(C)CCCC(C)(O)CNCC(C)C
InChIInChI=1S/C13H29NO/c1-11(2)7-6-8-13(5,15)10-14-9-12(3)4/h11-12,14-15H,6-10H2,1-5H3
InChIKeyUGAGZKKMBKLILY-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dimethyl-1-(propan-2-ylamino)heptan-2-ol
CID 83168520
2-methyl-1-(2-methylpropylamino)hex-5-yn-2-ol
CID 66037293
2-methyl-1-(2-methylpropylamino)-4-phenylbutan-2-ol
CID 62774344
2,3-dimethyl-1-(2-methylpropylamino)but-3-en-2-ol
CID 79178435
2-methyl-1-(2-methylpropylamino)pent-4-yn-2-ol
CID 66037290
2,3,3-trimethyl-1-(2-methylpropylamino)butan-2-ol
CID 80559417
2-methyl-1-(2-methylpropylamino)-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103017836
2-methyl-1-(7-methyloctylamino)butan-2-ol
CID 104985805
2-methyl-1-(6-methylheptan-2-ylamino)pentan-2-ol
CID 115719490
3,3-dimethyl-4-(2-methylpropylamino)butan-1-ol
CID 115876647
1-methoxy-2,6-dimethylheptan-2-ol
CID 83158619
4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 54104955

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1-(2-methylpropylamino)heptan-2-ol?
The IUPAC name of 2,6-dimethyl-1-(2-methylpropylamino)heptan-2-ol (CID 83168632) is 2,6-dimethyl-1-(2-methylpropylamino)heptan-2-ol.
What is the SMILES notation for 2,6-dimethyl-1-(2-methylpropylamino)heptan-2-ol?
The canonical SMILES for 2,6-dimethyl-1-(2-methylpropylamino)heptan-2-ol is CC(C)CCCC(C)(O)CNCC(C)C.
What is the InChIKey of 2,6-dimethyl-1-(2-methylpropylamino)heptan-2-ol?
The InChIKey is UGAGZKKMBKLILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-11(2)7-6-8-13(5,15)10-14-9-12(3)4/h11-12,14-15H,6-10H2,1-5H3.
What are the key properties of 2,6-dimethyl-1-(2-methylpropylamino)heptan-2-ol?
2,6-dimethyl-1-(2-methylpropylamino)heptan-2-ol has a molecular weight of 215.38 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-(2-methylpropylamino)heptan-2-ol is sourced from PubChem (CID 83168632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).