3-chloroprop-1-ene;N-methylmethanamine

C5H12ClN — CID 19802160

IUPAC3-chloroprop-1-ene;N-methylmethanamine
SMILESC=CCCl.CNC
InChIInChI=1S/C3H5Cl.C2H7N/c1-2-3-4;1-3-2/h2H,1,3H2;3H,1-2H3
InChIKeyADGHJOFICSQONF-UHFFFAOYSA-N
MW121.61 g/mol
LogP1.25
Rot. Bonds1

About 3-chloroprop-1-ene;N-methylmethanamine

3-chloroprop-1-ene;N-methylmethanamine (PubChem CID 19802160) has the molecular formula C5H12ClN and a molecular weight of 121.61 g/mol. Its IUPAC name is 3-chloroprop-1-ene;N-methylmethanamine.

Molecular Properties

Compound Name3-chloroprop-1-ene;N-methylmethanamine
PubChem CID19802160
Molecular FormulaC5H12ClN
Molecular Weight121.61 g/mol
Exact Mass121.07
IUPAC Name3-chloroprop-1-ene;N-methylmethanamine
SMILESC=CCCl.CNC
InChIInChI=1S/C3H5Cl.C2H7N/c1-2-3-4;1-3-2/h2H,1,3H2;3H,1-2H3
InChIKeyADGHJOFICSQONF-UHFFFAOYSA-N
XLogP1.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.61
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-chloroprop-1-ene;N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloroprop-1-ene;prop-1-ene;hydrochloride
CID 173189425
3-chloroprop-1-ene;dimethylsilane
CID 173453388
3-chloroprop-1-ene;ethoxyethane
CID 88697114
3-chloroprop-1-ene;methyl prop-2-enoate
CID 19001181
iron;N-methylprop-2-en-1-amine
CID 175581190
chloroethane;N-methylmethanamine;hydrochloride
CID 22017076
3-chloroprop-1-ene;2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenol
CID 90659435
1-chloro-2-methylpropane;N-methylmethanamine
CID 175109198
1-chloro-N-prop-2-enylpropan-2-amine
CID 65025683
N-(113C)methyl(113C)methan(15N)amine
CID 71309073
N-methylmethanamine
CID 674
4-chlorobut-1-ene;N,N-dimethylmethanamine;hydrochloride
CID 173093257

Frequently Asked Questions

What is the IUPAC name of 3-chloroprop-1-ene;N-methylmethanamine?
The IUPAC name of 3-chloroprop-1-ene;N-methylmethanamine (CID 19802160) is 3-chloroprop-1-ene;N-methylmethanamine.
What is the SMILES notation for 3-chloroprop-1-ene;N-methylmethanamine?
The canonical SMILES for 3-chloroprop-1-ene;N-methylmethanamine is C=CCCl.CNC.
What is the InChIKey of 3-chloroprop-1-ene;N-methylmethanamine?
The InChIKey is ADGHJOFICSQONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5Cl.C2H7N/c1-2-3-4;1-3-2/h2H,1,3H2;3H,1-2H3.
What are the key properties of 3-chloroprop-1-ene;N-methylmethanamine?
3-chloroprop-1-ene;N-methylmethanamine has a molecular weight of 121.61 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloroprop-1-ene;N-methylmethanamine is sourced from PubChem (CID 19802160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).