3-[[(E)-3-chloroprop-2-enyl]amino]-4-methylpentan-1-ol

C9H18ClNO — CID 104891979

IUPAC3-[[(E)-3-chloroprop-2-enyl]amino]-4-methylpentan-1-ol
SMILESCC(C)C(CCO)NC/C=C/Cl
InChIInChI=1S/C9H18ClNO/c1-8(2)9(4-7-12)11-6-3-5-10/h3,5,8-9,11-12H,4,6-7H2,1-2H3/b5-3+
InChIKeyBOAIORIJERCFQP-HWKANZROSA-N
MW191.70 g/mol
LogP1.74
Rot. Bonds6

About 3-[[(E)-3-chloroprop-2-enyl]amino]-4-methylpentan-1-ol

3-[[(E)-3-chloroprop-2-enyl]amino]-4-methylpentan-1-ol (PubChem CID 104891979) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 3-[[(E)-3-chloroprop-2-enyl]amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[[(E)-3-chloroprop-2-enyl]amino]-4-methylpentan-1-ol
PubChem CID104891979
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name3-[[(E)-3-chloroprop-2-enyl]amino]-4-methylpentan-1-ol
SMILESCC(C)C(CCO)NC/C=C/Cl
InChIInChI=1S/C9H18ClNO/c1-8(2)9(4-7-12)11-6-3-5-10/h3,5,8-9,11-12H,4,6-7H2,1-2H3/b5-3+
InChIKeyBOAIORIJERCFQP-HWKANZROSA-N
XLogP1.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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 3-[[(E)-3-chloroprop-2-enyl]amino]-4-methylpentan-1-ol with MolForge

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Related Compounds

2-(2-Chloroprop-2-enylamino)-4-methylpentan-1-ol
CID 61245404
2-(2,3-Dichloroprop-2-enylamino)-4-methylpentan-1-ol
CID 79168410
2-[[(E)-4-chlorobut-2-enyl]amino]-3-methylbutan-1-ol
CID 81428880
(2S)-2-[[(E)-4-chlorobut-2-enyl]amino]-3-methylbutan-1-ol
CID 81429014
3-[[(E)-4-chlorobut-2-enyl]amino]-2-methylpropan-1-ol
CID 81429284
4-[[(E)-4-chlorobut-2-enyl]amino]pentan-1-ol
CID 81430720
3-[[[(E)-4-chlorobut-2-enyl]amino]methyl]pentan-1-ol
CID 81430721
2-[[(E)-4-chlorobut-2-enyl]amino]-4-methylpentan-1-ol
CID 81431150
3-[[(E)-4-chlorobut-2-enyl]amino]butan-1-ol
CID 83177419
4,4-Dimethyl-3-(prop-2-enylamino)pentan-1-ol
CID 103949835
4-[[(E)-4-chlorobut-2-enyl]amino]pentan-2-ol
CID 104106616
3-[[(E)-3-chloroprop-2-enyl]amino]-4,4-dimethylpentan-1-ol
CID 104628018

Frequently Asked Questions

What is the IUPAC name of 3-[[(E)-3-chloroprop-2-enyl]amino]-4-methylpentan-1-ol?
The IUPAC name of 3-[[(E)-3-chloroprop-2-enyl]amino]-4-methylpentan-1-ol (CID 104891979) is 3-[[(E)-3-chloroprop-2-enyl]amino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[[(E)-3-chloroprop-2-enyl]amino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[[(E)-3-chloroprop-2-enyl]amino]-4-methylpentan-1-ol is CC(C)C(CCO)NC/C=C/Cl.
What is the InChIKey of 3-[[(E)-3-chloroprop-2-enyl]amino]-4-methylpentan-1-ol?
The InChIKey is BOAIORIJERCFQP-HWKANZROSA-N. The full InChI is InChI=1S/C9H18ClNO/c1-8(2)9(4-7-12)11-6-3-5-10/h3,5,8-9,11-12H,4,6-7H2,1-2H3/b5-3+.
What are the key properties of 3-[[(E)-3-chloroprop-2-enyl]amino]-4-methylpentan-1-ol?
3-[[(E)-3-chloroprop-2-enyl]amino]-4-methylpentan-1-ol has a molecular weight of 191.70 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(E)-3-chloroprop-2-enyl]amino]-4-methylpentan-1-ol is sourced from PubChem (CID 104891979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).