3,3,7,7-tetramethyl-6-(methylamino)nonan-4-ol

C14H31NO — CID 140740968

IUPAC3,3,7,7-tetramethyl-6-(methylamino)nonan-4-ol
SMILESCCC(C)(C)C(O)CC(NC)C(C)(C)CC
InChIInChI=1S/C14H31NO/c1-8-13(3,4)11(15-7)10-12(16)14(5,6)9-2/h11-12,15-16H,8-10H2,1-7H3
InChIKeySPUGROCZDRPALO-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.20
Rot. Bonds7

About 3,3,7,7-tetramethyl-6-(methylamino)nonan-4-ol

3,3,7,7-tetramethyl-6-(methylamino)nonan-4-ol (PubChem CID 140740968) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 3,3,7,7-tetramethyl-6-(methylamino)nonan-4-ol.

Molecular Properties

Compound Name3,3,7,7-tetramethyl-6-(methylamino)nonan-4-ol
PubChem CID140740968
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name3,3,7,7-tetramethyl-6-(methylamino)nonan-4-ol
SMILESCCC(C)(C)C(O)CC(NC)C(C)(C)CC
InChIInChI=1S/C14H31NO/c1-8-13(3,4)11(15-7)10-12(16)14(5,6)9-2/h11-12,15-16H,8-10H2,1-7H3
InChIKeySPUGROCZDRPALO-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,3,7,7-tetramethyl-6-(methylamino)nonan-4-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

1-ethoxy-N,3,3-trimethylpentan-2-amine
CID 105007892
(4R)-N,3,3-trimethylnonan-4-amine
CID 126620511
N,3,3-trimethylhexadecan-4-amine
CID 115846506
2,5,5-trimethylheptan-4-ylhydrazine
CID 105282852
N,3,3-trimethyl-1-propoxypentan-2-amine
CID 105008333
N,3,3-trimethyloct-7-en-4-amine
CID 104987331
N,3,3-trimethylnon-8-yn-4-amine
CID 105033729
8,8,8-trifluoro-3,3-dimethyloctan-4-ol
CID 115828379
N-ethyl-3,3,6-trimethyloctan-4-amine
CID 115846245
1-cyclobutyl-3,3-dimethylpentan-2-ol
CID 115802513
3-N,3-N-diethyl-4-N,3,6-trimethylheptane-3,4-diamine
CID 79068984
N,3,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 104997587

Frequently Asked Questions

What is the IUPAC name of 3,3,7,7-tetramethyl-6-(methylamino)nonan-4-ol?
The IUPAC name of 3,3,7,7-tetramethyl-6-(methylamino)nonan-4-ol (CID 140740968) is 3,3,7,7-tetramethyl-6-(methylamino)nonan-4-ol.
What is the SMILES notation for 3,3,7,7-tetramethyl-6-(methylamino)nonan-4-ol?
The canonical SMILES for 3,3,7,7-tetramethyl-6-(methylamino)nonan-4-ol is CCC(C)(C)C(O)CC(NC)C(C)(C)CC.
What is the InChIKey of 3,3,7,7-tetramethyl-6-(methylamino)nonan-4-ol?
The InChIKey is SPUGROCZDRPALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-8-13(3,4)11(15-7)10-12(16)14(5,6)9-2/h11-12,15-16H,8-10H2,1-7H3.
What are the key properties of 3,3,7,7-tetramethyl-6-(methylamino)nonan-4-ol?
3,3,7,7-tetramethyl-6-(methylamino)nonan-4-ol has a molecular weight of 229.41 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,7,7-tetramethyl-6-(methylamino)nonan-4-ol is sourced from PubChem (CID 140740968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).