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

C7H14ClNO — CID 106437468

IUPAC3-[(3-chloro-2-methylprop-2-enyl)amino]propan-1-ol
SMILESCC(=CCl)CNCCCO
InChIInChI=1S/C7H14ClNO/c1-7(5-8)6-9-3-2-4-10/h5,9-10H,2-4,6H2,1H3
InChIKeyUQQDMTIUEDZGEN-UHFFFAOYSA-N
MW163.65 g/mol
LogP1.10
Rot. Bonds5

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

3-[(3-chloro-2-methylprop-2-enyl)amino]propan-1-ol (PubChem CID 106437468) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is 3-[(3-chloro-2-methylprop-2-enyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(3-chloro-2-methylprop-2-enyl)amino]propan-1-ol
PubChem CID106437468
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name3-[(3-chloro-2-methylprop-2-enyl)amino]propan-1-ol
SMILESCC(=CCl)CNCCCO
InChIInChI=1S/C7H14ClNO/c1-7(5-8)6-9-3-2-4-10/h5,9-10H,2-4,6H2,1H3
InChIKeyUQQDMTIUEDZGEN-UHFFFAOYSA-N
XLogP1.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-methylprop-2-enyl)amino]propan-1-ol?
The IUPAC name of 3-[(3-chloro-2-methylprop-2-enyl)amino]propan-1-ol (CID 106437468) is 3-[(3-chloro-2-methylprop-2-enyl)amino]propan-1-ol.
What is the SMILES notation for 3-[(3-chloro-2-methylprop-2-enyl)amino]propan-1-ol?
The canonical SMILES for 3-[(3-chloro-2-methylprop-2-enyl)amino]propan-1-ol is CC(=CCl)CNCCCO.
What is the InChIKey of 3-[(3-chloro-2-methylprop-2-enyl)amino]propan-1-ol?
The InChIKey is UQQDMTIUEDZGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO/c1-7(5-8)6-9-3-2-4-10/h5,9-10H,2-4,6H2,1H3.
What are the key properties of 3-[(3-chloro-2-methylprop-2-enyl)amino]propan-1-ol?
3-[(3-chloro-2-methylprop-2-enyl)amino]propan-1-ol has a molecular weight of 163.65 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-methylprop-2-enyl)amino]propan-1-ol is sourced from PubChem (CID 106437468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).