2-(2-chloroprop-2-enylamino)-2-methylpropan-1-ol

C7H14ClNO — CID 60873207

IUPAC2-(2-chloroprop-2-enylamino)-2-methylpropan-1-ol
SMILESC=C(Cl)CNC(C)(C)CO
InChIInChI=1S/C7H14ClNO/c1-6(8)4-9-7(2,3)5-10/h9-10H,1,4-5H2,2-3H3
InChIKeyAMSIJBRLXIXQLD-UHFFFAOYSA-N
MW163.65 g/mol
LogP1.10
Rot. Bonds4

About 2-(2-chloroprop-2-enylamino)-2-methylpropan-1-ol

2-(2-chloroprop-2-enylamino)-2-methylpropan-1-ol (PubChem CID 60873207) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is 2-(2-chloroprop-2-enylamino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(2-chloroprop-2-enylamino)-2-methylpropan-1-ol
PubChem CID60873207
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name2-(2-chloroprop-2-enylamino)-2-methylpropan-1-ol
SMILESC=C(Cl)CNC(C)(C)CO
InChIInChI=1S/C7H14ClNO/c1-6(8)4-9-7(2,3)5-10/h9-10H,1,4-5H2,2-3H3
InChIKeyAMSIJBRLXIXQLD-UHFFFAOYSA-N
XLogP1.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroprop-2-enylamino)-2-methylpropan-1-ol?
The IUPAC name of 2-(2-chloroprop-2-enylamino)-2-methylpropan-1-ol (CID 60873207) is 2-(2-chloroprop-2-enylamino)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(2-chloroprop-2-enylamino)-2-methylpropan-1-ol?
The canonical SMILES for 2-(2-chloroprop-2-enylamino)-2-methylpropan-1-ol is C=C(Cl)CNC(C)(C)CO.
What is the InChIKey of 2-(2-chloroprop-2-enylamino)-2-methylpropan-1-ol?
The InChIKey is AMSIJBRLXIXQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO/c1-6(8)4-9-7(2,3)5-10/h9-10H,1,4-5H2,2-3H3.
What are the key properties of 2-(2-chloroprop-2-enylamino)-2-methylpropan-1-ol?
2-(2-chloroprop-2-enylamino)-2-methylpropan-1-ol has a molecular weight of 163.65 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroprop-2-enylamino)-2-methylpropan-1-ol is sourced from PubChem (CID 60873207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).