1-[1-(2-chloroprop-2-enyl)pyrrolidin-3-yl]ethanamine

C9H17ClN2 — CID 103976469

IUPAC1-[1-(2-chloroprop-2-enyl)pyrrolidin-3-yl]ethanamine
SMILESC=C(Cl)CN1CCC(C(C)N)C1
InChIInChI=1S/C9H17ClN2/c1-7(10)5-12-4-3-9(6-12)8(2)11/h8-9H,1,3-6,11H2,2H3
InChIKeyODSDKMTZVRLGEU-UHFFFAOYSA-N
MW188.70 g/mol
LogP1.41
Rot. Bonds3

About 1-[1-(2-chloroprop-2-enyl)pyrrolidin-3-yl]ethanamine

1-[1-(2-chloroprop-2-enyl)pyrrolidin-3-yl]ethanamine (PubChem CID 103976469) has the molecular formula C9H17ClN2 and a molecular weight of 188.70 g/mol. Its IUPAC name is 1-[1-(2-chloroprop-2-enyl)pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-chloroprop-2-enyl)pyrrolidin-3-yl]ethanamine
PubChem CID103976469
Molecular FormulaC9H17ClN2
Molecular Weight188.70 g/mol
Exact Mass188.11
IUPAC Name1-[1-(2-chloroprop-2-enyl)pyrrolidin-3-yl]ethanamine
SMILESC=C(Cl)CN1CCC(C(C)N)C1
InChIInChI=1S/C9H17ClN2/c1-7(10)5-12-4-3-9(6-12)8(2)11/h8-9H,1,3-6,11H2,2H3
InChIKeyODSDKMTZVRLGEU-UHFFFAOYSA-N
XLogP1.41
TPSA29.26 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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-propylpyrrolidin-3-yl)ethanamine
CID 83981022
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 112630380
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 112630179
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 103976457
1-[1-(2,3-dichloroprop-2-enyl)piperidin-4-yl]ethanamine
CID 79173181
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 112630035
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(6-methylheptan-2-yl)acetamide
CID 115969322
1-(1-nonylpyrrolidin-3-yl)ethanamine
CID 113360760
1-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-ol
CID 103976483
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 112630158
methyl 3-[3-(1-aminoethyl)pyrrolidin-1-yl]-2,2-dimethylpropanoate
CID 103976271
1-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 83980773

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chloroprop-2-enyl)pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-(2-chloroprop-2-enyl)pyrrolidin-3-yl]ethanamine (CID 103976469) is 1-[1-(2-chloroprop-2-enyl)pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(2-chloroprop-2-enyl)pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-(2-chloroprop-2-enyl)pyrrolidin-3-yl]ethanamine is C=C(Cl)CN1CCC(C(C)N)C1.
What is the InChIKey of 1-[1-(2-chloroprop-2-enyl)pyrrolidin-3-yl]ethanamine?
The InChIKey is ODSDKMTZVRLGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClN2/c1-7(10)5-12-4-3-9(6-12)8(2)11/h8-9H,1,3-6,11H2,2H3.
What are the key properties of 1-[1-(2-chloroprop-2-enyl)pyrrolidin-3-yl]ethanamine?
1-[1-(2-chloroprop-2-enyl)pyrrolidin-3-yl]ethanamine has a molecular weight of 188.70 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chloroprop-2-enyl)pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 103976469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).