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

C10H20ClNO — CID 104628018

IUPAC3-[[(E)-3-chloroprop-2-enyl]amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(CCO)NC/C=C/Cl
InChIInChI=1S/C10H20ClNO/c1-10(2,3)9(5-8-13)12-7-4-6-11/h4,6,9,12-13H,5,7-8H2,1-3H3/b6-4+
InChIKeyHWIGADRTXILMNM-GQCTYLIASA-N
MW205.73 g/mol
LogP2.13
Rot. Bonds5

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

3-[[(E)-3-chloroprop-2-enyl]amino]-4,4-dimethylpentan-1-ol (PubChem CID 104628018) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 3-[[(E)-3-chloroprop-2-enyl]amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-[[(E)-3-chloroprop-2-enyl]amino]-4,4-dimethylpentan-1-ol
PubChem CID104628018
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name3-[[(E)-3-chloroprop-2-enyl]amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(CCO)NC/C=C/Cl
InChIInChI=1S/C10H20ClNO/c1-10(2,3)9(5-8-13)12-7-4-6-11/h4,6,9,12-13H,5,7-8H2,1-3H3/b6-4+
InChIKeyHWIGADRTXILMNM-GQCTYLIASA-N
XLogP2.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[(E)-3-chloroprop-2-enyl]amino]-4,4-dimethylpentan-1-ol with MolForge

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Related Compounds

4-[[(E)-4-chlorobut-2-enyl]amino]pentan-1-ol
CID 81430720
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-(2-methylprop-2-enylamino)pentan-1-ol
CID 103949823
4,4-Dimethyl-3-(prop-2-enylamino)pentan-1-ol
CID 103949835
4,4-Dimethyl-3-(3-methylbut-2-enylamino)pentan-1-ol
CID 104628073
3-[[(E)-but-2-enyl]amino]-4,4-dimethylpentan-1-ol
CID 104628148
3-(2,3-Dichloroprop-2-enylamino)-4,4-dimethylpentan-1-ol
CID 104628208
3-(But-3-enylamino)-4,4-dimethylpentan-1-ol
CID 104628256
4-Methyl-3-(prop-2-enylamino)pentan-1-ol
CID 104696122
3-(2,3-Dichloroprop-2-enylamino)-4-methylpentan-1-ol
CID 104891914
3-[[(E)-3-chloroprop-2-enyl]amino]-4-methylpentan-1-ol
CID 104891979

Frequently Asked Questions

What is the IUPAC name of 3-[[(E)-3-chloroprop-2-enyl]amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-[[(E)-3-chloroprop-2-enyl]amino]-4,4-dimethylpentan-1-ol (CID 104628018) is 3-[[(E)-3-chloroprop-2-enyl]amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-[[(E)-3-chloroprop-2-enyl]amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-[[(E)-3-chloroprop-2-enyl]amino]-4,4-dimethylpentan-1-ol is CC(C)(C)C(CCO)NC/C=C/Cl.
What is the InChIKey of 3-[[(E)-3-chloroprop-2-enyl]amino]-4,4-dimethylpentan-1-ol?
The InChIKey is HWIGADRTXILMNM-GQCTYLIASA-N. The full InChI is InChI=1S/C10H20ClNO/c1-10(2,3)9(5-8-13)12-7-4-6-11/h4,6,9,12-13H,5,7-8H2,1-3H3/b6-4+.
What are the key properties of 3-[[(E)-3-chloroprop-2-enyl]amino]-4,4-dimethylpentan-1-ol?
3-[[(E)-3-chloroprop-2-enyl]amino]-4,4-dimethylpentan-1-ol has a molecular weight of 205.73 g/mol, XLogP of 2.13, 5 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]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 104628018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).