(3S)-8-(2,2-dimethylpropylamino)-3-propyloct-1-en-2-ol

C16H33NO — CID 144711875

IUPAC(3S)-8-(2,2-dimethylpropylamino)-3-propyloct-1-en-2-ol
SMILESC=C(O)[C@@H](CCC)CCCCCNCC(C)(C)C
InChIInChI=1S/C16H33NO/c1-6-10-15(14(2)18)11-8-7-9-12-17-13-16(3,4)5/h15,17-18H,2,6-13H2,1,3-5H3/t15-/m0/s1
InChIKeyRSIJVNAHLGCMSN-HNNXBMFYSA-N
MW255.45 g/mol
LogP4.67
Rot. Bonds10

About (3S)-8-(2,2-dimethylpropylamino)-3-propyloct-1-en-2-ol

(3S)-8-(2,2-dimethylpropylamino)-3-propyloct-1-en-2-ol (PubChem CID 144711875) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is (3S)-8-(2,2-dimethylpropylamino)-3-propyloct-1-en-2-ol.

Molecular Properties

Compound Name(3S)-8-(2,2-dimethylpropylamino)-3-propyloct-1-en-2-ol
PubChem CID144711875
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name(3S)-8-(2,2-dimethylpropylamino)-3-propyloct-1-en-2-ol
SMILESC=C(O)[C@@H](CCC)CCCCCNCC(C)(C)C
InChIInChI=1S/C16H33NO/c1-6-10-15(14(2)18)11-8-7-9-12-17-13-16(3,4)5/h15,17-18H,2,6-13H2,1,3-5H3/t15-/m0/s1
InChIKeyRSIJVNAHLGCMSN-HNNXBMFYSA-N
XLogP4.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3S)-8-(2,2-dimethylpropylamino)-3-propyloct-1-en-2-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

9-[(6-Hydroxy-6-prop-2-enylnon-8-enyl)amino]-4-prop-2-enylnon-1-en-4-ol
CID 87691483
17-(Methylamino)heptadec-1-en-2-ol
CID 134267576
(3R)-8-(2,2-dimethylpropylamino)-3-(2-sulfanylethyl)oct-1-en-2-ol
CID 144712092
3,5,6-Trimethyl-5-[2-(3-methylazepan-3-yl)ethyl]hept-6-en-1-ol
CID 163566505
N-ethylbutan-1-amine;10-methyl-8-methylidenetridecan-1-ol;yttrium
CID 169203527
(12R)-17-amino-12-methylheptadec-1-en-2-ol
CID 173800802
5-Piperidin-3-ylpent-1-en-2-ol
CID 178055685
(6S)-8-[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]-2,6-dimethyloctan-2-ol
CID 39776337
(6R)-8-[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]-2,6-dimethyloctan-2-ol
CID 39776340
4-{[(7-Hydroxy-3,7-dimethyloctyl)amino]methyl}-1,6-heptadien-4-ol
CID 45930657

Frequently Asked Questions

What is the IUPAC name of (3S)-8-(2,2-dimethylpropylamino)-3-propyloct-1-en-2-ol?
The IUPAC name of (3S)-8-(2,2-dimethylpropylamino)-3-propyloct-1-en-2-ol (CID 144711875) is (3S)-8-(2,2-dimethylpropylamino)-3-propyloct-1-en-2-ol.
What is the SMILES notation for (3S)-8-(2,2-dimethylpropylamino)-3-propyloct-1-en-2-ol?
The canonical SMILES for (3S)-8-(2,2-dimethylpropylamino)-3-propyloct-1-en-2-ol is C=C(O)[C@@H](CCC)CCCCCNCC(C)(C)C.
What is the InChIKey of (3S)-8-(2,2-dimethylpropylamino)-3-propyloct-1-en-2-ol?
The InChIKey is RSIJVNAHLGCMSN-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H33NO/c1-6-10-15(14(2)18)11-8-7-9-12-17-13-16(3,4)5/h15,17-18H,2,6-13H2,1,3-5H3/t15-/m0/s1.
What are the key properties of (3S)-8-(2,2-dimethylpropylamino)-3-propyloct-1-en-2-ol?
(3S)-8-(2,2-dimethylpropylamino)-3-propyloct-1-en-2-ol has a molecular weight of 255.45 g/mol, XLogP of 4.67, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8-(2,2-dimethylpropylamino)-3-propyloct-1-en-2-ol is sourced from PubChem (CID 144711875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).