(2S)-2-(dimethylamino)but-3-en-1-ol

C6H13NO — CID 138983091

IUPAC(2S)-2-(dimethylamino)but-3-en-1-ol
SMILESC=C[C@@H](CO)N(C)C
InChIInChI=1S/C6H13NO/c1-4-6(5-8)7(2)3/h4,6,8H,1,5H2,2-3H3/t6-/m0/s1
InChIKeyKSQREHFSFBSCSA-LURJTMIESA-N
MW115.18 g/mol
LogP0.09
Rot. Bonds3

About (2S)-2-(dimethylamino)but-3-en-1-ol

(2S)-2-(dimethylamino)but-3-en-1-ol (PubChem CID 138983091) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)but-3-en-1-ol.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)but-3-en-1-ol
PubChem CID138983091
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(2S)-2-(dimethylamino)but-3-en-1-ol
SMILESC=C[C@@H](CO)N(C)C
InChIInChI=1S/C6H13NO/c1-4-6(5-8)7(2)3/h4,6,8H,1,5H2,2-3H3/t6-/m0/s1
InChIKeyKSQREHFSFBSCSA-LURJTMIESA-N
XLogP0.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2-(dimethylamino)but-3-en-1-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

N,N-dimethyl-1-(oxiran-2-yl)but-3-en-2-amine
CID 174623165
5-chloro-N,N-dimethylpent-1-en-3-amine;hydrochloride
CID 174791441
N-tert-butyl-N-(1-hydroxybut-3-en-2-yl)formamide
CID 90419699
N,N-dimethyloct-1-en-3-amine
CID 123653053
6-[4-(dimethylamino)hex-5-enoxy]-N,N-dimethylhex-1-en-3-amine
CID 139697213
N,N-dimethylnonadec-1-en-3-amine
CID 174330581
N,N-dimethylhenicos-1-en-3-amine
CID 174322133
1-(dimethylamino)prop-2-en-1-ol
CID 87523249
2-(dimethylamino)hex-5-en-1-ol
CID 131050501
2,2-bis(dimethylamino)ethanol
CID 57031094
2-propan-2-yloxybut-3-en-1-ol
CID 130152542
N,N-dimethylethenamine;ethane-1,2-diol
CID 88731218

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)but-3-en-1-ol?
The IUPAC name of (2S)-2-(dimethylamino)but-3-en-1-ol (CID 138983091) is (2S)-2-(dimethylamino)but-3-en-1-ol.
What is the SMILES notation for (2S)-2-(dimethylamino)but-3-en-1-ol?
The canonical SMILES for (2S)-2-(dimethylamino)but-3-en-1-ol is C=C[C@@H](CO)N(C)C.
What is the InChIKey of (2S)-2-(dimethylamino)but-3-en-1-ol?
The InChIKey is KSQREHFSFBSCSA-LURJTMIESA-N. The full InChI is InChI=1S/C6H13NO/c1-4-6(5-8)7(2)3/h4,6,8H,1,5H2,2-3H3/t6-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)but-3-en-1-ol?
(2S)-2-(dimethylamino)but-3-en-1-ol has a molecular weight of 115.18 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)but-3-en-1-ol is sourced from PubChem (CID 138983091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).