(2S)-3-methyl-3-(methylamino)oct-7-en-2-ol

C10H21NO — CID 155337272

IUPAC(2S)-3-methyl-3-(methylamino)oct-7-en-2-ol
SMILESC=CCCCC(C)(NC)[C@H](C)O
InChIInChI=1S/C10H21NO/c1-5-6-7-8-10(3,11-4)9(2)12/h5,9,11-12H,1,6-8H2,2-4H3/t9-,10?/m0/s1
InChIKeyMQGXQCWZXQQUQB-RGURZIINSA-N
MW171.28 g/mol
LogP1.70
Rot. Bonds6

About (2S)-3-methyl-3-(methylamino)oct-7-en-2-ol

(2S)-3-methyl-3-(methylamino)oct-7-en-2-ol (PubChem CID 155337272) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (2S)-3-methyl-3-(methylamino)oct-7-en-2-ol.

Molecular Properties

Compound Name(2S)-3-methyl-3-(methylamino)oct-7-en-2-ol
PubChem CID155337272
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(2S)-3-methyl-3-(methylamino)oct-7-en-2-ol
SMILESC=CCCCC(C)(NC)[C@H](C)O
InChIInChI=1S/C10H21NO/c1-5-6-7-8-10(3,11-4)9(2)12/h5,9,11-12H,1,6-8H2,2-4H3/t9-,10?/m0/s1
InChIKeyMQGXQCWZXQQUQB-RGURZIINSA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S)-3-methyl-3-(methylamino)oct-7-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

(2S)-2-methyl-2-(methylamino)oct-7-enoic acid
CID 163656905
(2R)-2-methyl-2-(methylamino)dec-9-enoic acid
CID 131871099
(4S)-2,4-dimethyl-4-(propan-2-ylamino)non-8-en-3-one
CID 58307974
2,2-dimethylhept-6-en-1-ol
CID 12063159
(2S)-2-methyl-2-[(E,2S)-3-methylpent-3-en-2-yl]hept-6-enenitrile
CID 101437995
(3S)-3-methyl-3-(methylamino)hept-6-en-2-one
CID 118335529
(2S)-2-(hex-5-enylamino)-3,3-dimethylbutanoic acid
CID 58005101
2-methyl-2-(methylamino)hex-5-enamide
CID 104655918
2-bromo-2-methylhept-6-enoic acid
CID 14195750
N-tert-butylhex-5-enamide
CID 15640339
2,4-dimethyl-4-[methyl(propan-2-yl)amino]non-8-en-3-one
CID 90351471
2-methoxycarbonyl-2-methylnon-8-enoic acid
CID 107010769

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-3-(methylamino)oct-7-en-2-ol?
The IUPAC name of (2S)-3-methyl-3-(methylamino)oct-7-en-2-ol (CID 155337272) is (2S)-3-methyl-3-(methylamino)oct-7-en-2-ol.
What is the SMILES notation for (2S)-3-methyl-3-(methylamino)oct-7-en-2-ol?
The canonical SMILES for (2S)-3-methyl-3-(methylamino)oct-7-en-2-ol is C=CCCCC(C)(NC)[C@H](C)O.
What is the InChIKey of (2S)-3-methyl-3-(methylamino)oct-7-en-2-ol?
The InChIKey is MQGXQCWZXQQUQB-RGURZIINSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-6-7-8-10(3,11-4)9(2)12/h5,9,11-12H,1,6-8H2,2-4H3/t9-,10?/m0/s1.
What are the key properties of (2S)-3-methyl-3-(methylamino)oct-7-en-2-ol?
(2S)-3-methyl-3-(methylamino)oct-7-en-2-ol has a molecular weight of 171.28 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-3-(methylamino)oct-7-en-2-ol is sourced from PubChem (CID 155337272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).