N-(3-chloro-2-methylprop-2-enyl)-1-methylpyrrolidin-3-amine

C9H17ClN2 — CID 106437575

IUPACN-(3-chloro-2-methylprop-2-enyl)-1-methylpyrrolidin-3-amine
SMILESCC(=CCl)CNC1CCN(C)C1
InChIInChI=1S/C9H17ClN2/c1-8(5-10)6-11-9-3-4-12(2)7-9/h5,9,11H,3-4,6-7H2,1-2H3
InChIKeyBEUWMPSGEWUNMA-UHFFFAOYSA-N
MW188.70 g/mol
LogP1.42
Rot. Bonds3

About N-(3-chloro-2-methylprop-2-enyl)-1-methylpyrrolidin-3-amine

N-(3-chloro-2-methylprop-2-enyl)-1-methylpyrrolidin-3-amine (PubChem CID 106437575) has the molecular formula C9H17ClN2 and a molecular weight of 188.70 g/mol. Its IUPAC name is N-(3-chloro-2-methylprop-2-enyl)-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylprop-2-enyl)-1-methylpyrrolidin-3-amine
PubChem CID106437575
Molecular FormulaC9H17ClN2
Molecular Weight188.70 g/mol
Exact Mass188.11
IUPAC NameN-(3-chloro-2-methylprop-2-enyl)-1-methylpyrrolidin-3-amine
SMILESCC(=CCl)CNC1CCN(C)C1
InChIInChI=1S/C9H17ClN2/c1-8(5-10)6-11-9-3-4-12(2)7-9/h5,9,11H,3-4,6-7H2,1-2H3
InChIKeyBEUWMPSGEWUNMA-UHFFFAOYSA-N
XLogP1.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.70
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-chloro-2-methylprop-2-enyl)-1-methylpyrrolidin-3-amine 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

N-(3-chloro-2-methylprop-2-enyl)-1-cyclopropylpyrrolidin-3-amine
CID 106437648
N-(3-chloro-2-methylprop-2-enyl)cyclopentanamine
CID 106437272
N-(3-chloro-2-methylprop-2-enyl)-1-methylsulfonylpiperidin-4-amine
CID 106437494
N,N-dimethyl-2-[(1-methylpyrrolidin-3-yl)amino]acetamide
CID 61462384
2-[(1-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone
CID 61462383
[(1-methylpyrrolidin-3-yl)amino]methanethiol
CID 115227697
ethane;N-ethyl-1-methylpyrrolidin-3-amine
CID 145338055
(3R)-1-methyl-N-propylpyrrolidin-3-amine
CID 93285609
N-[(E)-but-2-enyl]-1-methylpyrrolidin-3-amine
CID 107898844
(3R)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 162433689
3-chloro-N-(cyclopropylmethyl)-2-methylprop-2-en-1-amine
CID 106437274
N-(3-chloro-2-methylprop-2-enyl)-2-methyloxan-4-amine
CID 106438247

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylprop-2-enyl)-1-methylpyrrolidin-3-amine?
The IUPAC name of N-(3-chloro-2-methylprop-2-enyl)-1-methylpyrrolidin-3-amine (CID 106437575) is N-(3-chloro-2-methylprop-2-enyl)-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-(3-chloro-2-methylprop-2-enyl)-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-(3-chloro-2-methylprop-2-enyl)-1-methylpyrrolidin-3-amine is CC(=CCl)CNC1CCN(C)C1.
What is the InChIKey of N-(3-chloro-2-methylprop-2-enyl)-1-methylpyrrolidin-3-amine?
The InChIKey is BEUWMPSGEWUNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClN2/c1-8(5-10)6-11-9-3-4-12(2)7-9/h5,9,11H,3-4,6-7H2,1-2H3.
What are the key properties of N-(3-chloro-2-methylprop-2-enyl)-1-methylpyrrolidin-3-amine?
N-(3-chloro-2-methylprop-2-enyl)-1-methylpyrrolidin-3-amine has a molecular weight of 188.70 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylprop-2-enyl)-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 106437575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).