(2R)-2-(3,3-dimethylbutyl)-7-(2,2-dimethylpropylamino)heptan-1-ol

C18H39NO — CID 118887577

IUPAC(2R)-2-(3,3-dimethylbutyl)-7-(2,2-dimethylpropylamino)heptan-1-ol
SMILESCC(C)(C)CC[C@H](CO)CCCCCNCC(C)(C)C
InChIInChI=1S/C18H39NO/c1-17(2,3)12-11-16(14-20)10-8-7-9-13-19-15-18(4,5)6/h16,19-20H,7-15H2,1-6H3/t16-/m1/s1
InChIKeyNZOZJQGGUOGOPV-MRXNPFEDSA-N
MW285.52 g/mol
LogP4.62
Rot. Bonds10

About (2R)-2-(3,3-dimethylbutyl)-7-(2,2-dimethylpropylamino)heptan-1-ol

(2R)-2-(3,3-dimethylbutyl)-7-(2,2-dimethylpropylamino)heptan-1-ol (PubChem CID 118887577) has the molecular formula C18H39NO and a molecular weight of 285.52 g/mol. Its IUPAC name is (2R)-2-(3,3-dimethylbutyl)-7-(2,2-dimethylpropylamino)heptan-1-ol.

Molecular Properties

Compound Name(2R)-2-(3,3-dimethylbutyl)-7-(2,2-dimethylpropylamino)heptan-1-ol
PubChem CID118887577
Molecular FormulaC18H39NO
Molecular Weight285.52 g/mol
Exact Mass285.30
IUPAC Name(2R)-2-(3,3-dimethylbutyl)-7-(2,2-dimethylpropylamino)heptan-1-ol
SMILESCC(C)(C)CC[C@H](CO)CCCCCNCC(C)(C)C
InChIInChI=1S/C18H39NO/c1-17(2,3)12-11-16(14-20)10-8-7-9-13-19-15-18(4,5)6/h16,19-20H,7-15H2,1-6H3/t16-/m1/s1
InChIKeyNZOZJQGGUOGOPV-MRXNPFEDSA-N
XLogP4.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.52
LogP ≤ 54.62
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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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,3-dimethylbutyl)-7-(2,2-dimethylpropylamino)heptan-1-ol?
The IUPAC name of (2R)-2-(3,3-dimethylbutyl)-7-(2,2-dimethylpropylamino)heptan-1-ol (CID 118887577) is (2R)-2-(3,3-dimethylbutyl)-7-(2,2-dimethylpropylamino)heptan-1-ol.
What is the SMILES notation for (2R)-2-(3,3-dimethylbutyl)-7-(2,2-dimethylpropylamino)heptan-1-ol?
The canonical SMILES for (2R)-2-(3,3-dimethylbutyl)-7-(2,2-dimethylpropylamino)heptan-1-ol is CC(C)(C)CC[C@H](CO)CCCCCNCC(C)(C)C.
What is the InChIKey of (2R)-2-(3,3-dimethylbutyl)-7-(2,2-dimethylpropylamino)heptan-1-ol?
The InChIKey is NZOZJQGGUOGOPV-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H39NO/c1-17(2,3)12-11-16(14-20)10-8-7-9-13-19-15-18(4,5)6/h16,19-20H,7-15H2,1-6H3/t16-/m1/s1.
What are the key properties of (2R)-2-(3,3-dimethylbutyl)-7-(2,2-dimethylpropylamino)heptan-1-ol?
(2R)-2-(3,3-dimethylbutyl)-7-(2,2-dimethylpropylamino)heptan-1-ol has a molecular weight of 285.52 g/mol, XLogP of 4.62, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,3-dimethylbutyl)-7-(2,2-dimethylpropylamino)heptan-1-ol is sourced from PubChem (CID 118887577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).