2-[(3-chloro-2-methylprop-2-enyl)amino]-3-methylbutan-1-ol

C9H18ClNO — CID 106438226

IUPAC2-[(3-chloro-2-methylprop-2-enyl)amino]-3-methylbutan-1-ol
SMILESCC(=CCl)CNC(CO)C(C)C
InChIInChI=1S/C9H18ClNO/c1-7(2)9(6-12)11-5-8(3)4-10/h4,7,9,11-12H,5-6H2,1-3H3
InChIKeyIHKPEALTWCBXJC-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.74
Rot. Bonds5

About 2-[(3-chloro-2-methylprop-2-enyl)amino]-3-methylbutan-1-ol

2-[(3-chloro-2-methylprop-2-enyl)amino]-3-methylbutan-1-ol (PubChem CID 106438226) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 2-[(3-chloro-2-methylprop-2-enyl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(3-chloro-2-methylprop-2-enyl)amino]-3-methylbutan-1-ol
PubChem CID106438226
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name2-[(3-chloro-2-methylprop-2-enyl)amino]-3-methylbutan-1-ol
SMILESCC(=CCl)CNC(CO)C(C)C
InChIInChI=1S/C9H18ClNO/c1-7(2)9(6-12)11-5-8(3)4-10/h4,7,9,11-12H,5-6H2,1-3H3
InChIKeyIHKPEALTWCBXJC-UHFFFAOYSA-N
XLogP1.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(3-chloro-2-methylprop-2-enyl)amino]-3-methylbutan-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

2-[(3-chloro-2-methylprop-2-enyl)amino]propan-1-ol
CID 106437749
N-(1-bromopropan-2-yl)-3-chloro-2-methylprop-2-en-1-amine
CID 106440126
4-[(3-chloro-2-methylprop-2-enyl)amino]pentan-1-ol
CID 106437903
(2S)-2-[(2-hydroxy-2-methylpropyl)amino]-3-methylbutan-1-ol
CID 79249473
3-chloro-N-[(1R)-1-cyclohexylethyl]-2-methylprop-2-en-1-amine
CID 106437955
(2S)-3-methyl-2-(propylamino)butan-1-ol
CID 79254888
2-[[(2S)-2-hydroxypropyl]amino]-3-methylbutan-1-ol
CID 106932287
N-(3-chloro-2-methylprop-2-enyl)-1-methylsulfanylbutan-2-amine
CID 106438115
(2S)-2-[(3-hydroxy-3-methylbutyl)amino]-3-methylbutan-1-ol
CID 79355054
2-(but-2-ynylamino)-3-methylbutan-1-ol
CID 79249561
methyl 2-[(3-chloro-2-methylprop-2-enyl)amino]-4-methylpentanoate
CID 106437639
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-propylacetamide
CID 79250505

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-methylprop-2-enyl)amino]-3-methylbutan-1-ol?
The IUPAC name of 2-[(3-chloro-2-methylprop-2-enyl)amino]-3-methylbutan-1-ol (CID 106438226) is 2-[(3-chloro-2-methylprop-2-enyl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[(3-chloro-2-methylprop-2-enyl)amino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[(3-chloro-2-methylprop-2-enyl)amino]-3-methylbutan-1-ol is CC(=CCl)CNC(CO)C(C)C.
What is the InChIKey of 2-[(3-chloro-2-methylprop-2-enyl)amino]-3-methylbutan-1-ol?
The InChIKey is IHKPEALTWCBXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO/c1-7(2)9(6-12)11-5-8(3)4-10/h4,7,9,11-12H,5-6H2,1-3H3.
What are the key properties of 2-[(3-chloro-2-methylprop-2-enyl)amino]-3-methylbutan-1-ol?
2-[(3-chloro-2-methylprop-2-enyl)amino]-3-methylbutan-1-ol has a molecular weight of 191.70 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-methylprop-2-enyl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 106438226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).