2-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]prop-2-en-1-amine

C10H19ClN2 — CID 60872237

IUPAC2-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]prop-2-en-1-amine
SMILESC=C(Cl)CNCC1CCN(CC)C1
InChIInChI=1S/C10H19ClN2/c1-3-13-5-4-10(8-13)7-12-6-9(2)11/h10,12H,2-8H2,1H3
InChIKeyXGFUZLWTOJGHSM-UHFFFAOYSA-N
MW202.73 g/mol
LogP1.67
Rot. Bonds5

About 2-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]prop-2-en-1-amine

2-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]prop-2-en-1-amine (PubChem CID 60872237) has the molecular formula C10H19ClN2 and a molecular weight of 202.73 g/mol. Its IUPAC name is 2-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]prop-2-en-1-amine
PubChem CID60872237
Molecular FormulaC10H19ClN2
Molecular Weight202.73 g/mol
Exact Mass202.12
IUPAC Name2-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]prop-2-en-1-amine
SMILESC=C(Cl)CNCC1CCN(CC)C1
InChIInChI=1S/C10H19ClN2/c1-3-13-5-4-10(8-13)7-12-6-9(2)11/h10,12H,2-8H2,1H3
InChIKeyXGFUZLWTOJGHSM-UHFFFAOYSA-N
XLogP1.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.73
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]acetate
CID 60856206
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methylbutan-2-yl)acetamide
CID 54955961
3-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]pentan-3-ol
CID 114492830
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methoxyethyl)acetamide
CID 54956631
bis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane
CID 162144356
1-(1-ethylpyrrolidin-3-yl)-N-(oxan-3-ylmethyl)methanamine
CID 63740741
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(4-fluorophenyl)acetamide
CID 60856879
1-(1-ethylpyrrolidin-3-yl)propan-2-one
CID 91527917
2-amino-3-[(1-ethylpyrrolidin-3-yl)methylamino]propanamide
CID 103239633
N-[(1-ethylpyrrolidin-3-yl)methyl]pentan-2-amine
CID 60857491
methyl 2-(1-ethylpyrrolidin-3-yl)acetate
CID 83980600
1-(cyclopropylmethyl)-3-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylguanidine
CID 111867320

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]prop-2-en-1-amine?
The IUPAC name of 2-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]prop-2-en-1-amine (CID 60872237) is 2-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for 2-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for 2-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]prop-2-en-1-amine is C=C(Cl)CNCC1CCN(CC)C1.
What is the InChIKey of 2-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]prop-2-en-1-amine?
The InChIKey is XGFUZLWTOJGHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2/c1-3-13-5-4-10(8-13)7-12-6-9(2)11/h10,12H,2-8H2,1H3.
What are the key properties of 2-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]prop-2-en-1-amine?
2-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]prop-2-en-1-amine has a molecular weight of 202.73 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 60872237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).