3,3,7,7-tetramethyl-2-[methyl(propan-2-yl)amino]nonan-5-ol

C17H37NO — CID 138705410

IUPAC3,3,7,7-tetramethyl-2-[methyl(propan-2-yl)amino]nonan-5-ol
SMILESCCC(C)(C)CC(O)CC(C)(C)C(C)N(C)C(C)C
InChIInChI=1S/C17H37NO/c1-10-16(5,6)11-15(19)12-17(7,8)14(4)18(9)13(2)3/h13-15,19H,10-12H2,1-9H3
InChIKeyJPHNPRBIJYLRRC-UHFFFAOYSA-N
MW271.49 g/mol
LogP4.32
Rot. Bonds8

About 3,3,7,7-tetramethyl-2-[methyl(propan-2-yl)amino]nonan-5-ol

3,3,7,7-tetramethyl-2-[methyl(propan-2-yl)amino]nonan-5-ol (PubChem CID 138705410) has the molecular formula C17H37NO and a molecular weight of 271.49 g/mol. Its IUPAC name is 3,3,7,7-tetramethyl-2-[methyl(propan-2-yl)amino]nonan-5-ol.

Molecular Properties

Compound Name3,3,7,7-tetramethyl-2-[methyl(propan-2-yl)amino]nonan-5-ol
PubChem CID138705410
Molecular FormulaC17H37NO
Molecular Weight271.49 g/mol
Exact Mass271.29
IUPAC Name3,3,7,7-tetramethyl-2-[methyl(propan-2-yl)amino]nonan-5-ol
SMILESCCC(C)(C)CC(O)CC(C)(C)C(C)N(C)C(C)C
InChIInChI=1S/C17H37NO/c1-10-16(5,6)11-15(19)12-17(7,8)14(4)18(9)13(2)3/h13-15,19H,10-12H2,1-9H3
InChIKeyJPHNPRBIJYLRRC-UHFFFAOYSA-N
XLogP4.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,7,7-tetramethyl-2-[methyl(propan-2-yl)amino]nonan-5-ol?
The IUPAC name of 3,3,7,7-tetramethyl-2-[methyl(propan-2-yl)amino]nonan-5-ol (CID 138705410) is 3,3,7,7-tetramethyl-2-[methyl(propan-2-yl)amino]nonan-5-ol.
What is the SMILES notation for 3,3,7,7-tetramethyl-2-[methyl(propan-2-yl)amino]nonan-5-ol?
The canonical SMILES for 3,3,7,7-tetramethyl-2-[methyl(propan-2-yl)amino]nonan-5-ol is CCC(C)(C)CC(O)CC(C)(C)C(C)N(C)C(C)C.
What is the InChIKey of 3,3,7,7-tetramethyl-2-[methyl(propan-2-yl)amino]nonan-5-ol?
The InChIKey is JPHNPRBIJYLRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO/c1-10-16(5,6)11-15(19)12-17(7,8)14(4)18(9)13(2)3/h13-15,19H,10-12H2,1-9H3.
What are the key properties of 3,3,7,7-tetramethyl-2-[methyl(propan-2-yl)amino]nonan-5-ol?
3,3,7,7-tetramethyl-2-[methyl(propan-2-yl)amino]nonan-5-ol has a molecular weight of 271.49 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,7,7-tetramethyl-2-[methyl(propan-2-yl)amino]nonan-5-ol is sourced from PubChem (CID 138705410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).