N-(2-chloroprop-2-enyl)-4-methoxybutan-2-amine

C8H16ClNO — CID 64604031

IUPACN-(2-chloroprop-2-enyl)-4-methoxybutan-2-amine
SMILESC=C(Cl)CNC(C)CCOC
InChIInChI=1S/C8H16ClNO/c1-7(9)6-10-8(2)4-5-11-3/h8,10H,1,4-6H2,2-3H3
InChIKeyWKJKTIICEHCYIM-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.75
Rot. Bonds6

About N-(2-chloroprop-2-enyl)-4-methoxybutan-2-amine

N-(2-chloroprop-2-enyl)-4-methoxybutan-2-amine (PubChem CID 64604031) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-4-methoxybutan-2-amine.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-4-methoxybutan-2-amine
PubChem CID64604031
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC NameN-(2-chloroprop-2-enyl)-4-methoxybutan-2-amine
SMILESC=C(Cl)CNC(C)CCOC
InChIInChI=1S/C8H16ClNO/c1-7(9)6-10-8(2)4-5-11-3/h8,10H,1,4-6H2,2-3H3
InChIKeyWKJKTIICEHCYIM-UHFFFAOYSA-N
XLogP1.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-4-methoxybutan-2-amine?
The IUPAC name of N-(2-chloroprop-2-enyl)-4-methoxybutan-2-amine (CID 64604031) is N-(2-chloroprop-2-enyl)-4-methoxybutan-2-amine.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-4-methoxybutan-2-amine?
The canonical SMILES for N-(2-chloroprop-2-enyl)-4-methoxybutan-2-amine is C=C(Cl)CNC(C)CCOC.
What is the InChIKey of N-(2-chloroprop-2-enyl)-4-methoxybutan-2-amine?
The InChIKey is WKJKTIICEHCYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO/c1-7(9)6-10-8(2)4-5-11-3/h8,10H,1,4-6H2,2-3H3.
What are the key properties of N-(2-chloroprop-2-enyl)-4-methoxybutan-2-amine?
N-(2-chloroprop-2-enyl)-4-methoxybutan-2-amine has a molecular weight of 177.67 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-4-methoxybutan-2-amine is sourced from PubChem (CID 64604031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).