1-(3-chloro-4-pyridinyl)-3-ethyl-N-methyl-3-pyrrolidin-1-ylpentan-2-amine

C17H28ClN3 — CID 79057135

IUPAC1-(3-chloro-4-pyridinyl)-3-ethyl-N-methyl-3-pyrrolidin-1-ylpentan-2-amine
SMILESCCC(CC)(C(Cc1ccncc1Cl)NC)N1CCCC1
InChIInChI=1S/C17H28ClN3/c1-4-17(5-2,21-10-6-7-11-21)16(19-3)12-14-8-9-20-13-15(14)18/h8-9,13,16,19H,4-7,10-12H2,1-3H3
InChIKeyWDFLHTGMBFIQQN-UHFFFAOYSA-N
MW309.88 g/mol
LogP3.52
Rot. Bonds7

About 1-(3-chloro-4-pyridinyl)-3-ethyl-N-methyl-3-pyrrolidin-1-ylpentan-2-amine

1-(3-chloro-4-pyridinyl)-3-ethyl-N-methyl-3-pyrrolidin-1-ylpentan-2-amine (PubChem CID 79057135) has the molecular formula C17H28ClN3 and a molecular weight of 309.88 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-3-ethyl-N-methyl-3-pyrrolidin-1-ylpentan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-3-ethyl-N-methyl-3-pyrrolidin-1-ylpentan-2-amine
PubChem CID79057135
Molecular FormulaC17H28ClN3
Molecular Weight309.88 g/mol
Exact Mass309.20
IUPAC Name1-(3-chloro-4-pyridinyl)-3-ethyl-N-methyl-3-pyrrolidin-1-ylpentan-2-amine
SMILESCCC(CC)(C(Cc1ccncc1Cl)NC)N1CCCC1
InChIInChI=1S/C17H28ClN3/c1-4-17(5-2,21-10-6-7-11-21)16(19-3)12-14-8-9-20-13-15(14)18/h8-9,13,16,19H,4-7,10-12H2,1-3H3
InChIKeyWDFLHTGMBFIQQN-UHFFFAOYSA-N
XLogP3.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine
CID 79045476
2-(3-chloro-4-pyridinyl)-1-(2,6-dichlorophenyl)-N-methylethanamine
CID 112655560
3-ethyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-ol
CID 104736143
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 112655545
3-(3-chloro-4-pyridinyl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516735
1-(3-chloro-4-pyridinyl)-N-ethyl-3-methoxy-3-methylbutan-2-amine
CID 79197915
1-(3-chloro-4-pyridinyl)-3-cyclopentyl-N-methylpropan-2-amine
CID 112655636
1-(2-chloro-5-fluorophenyl)-N,3-dimethyl-3-piperidin-1-ylbutan-2-amine
CID 102619055
1-[2-(3-chloro-4-pyridinyl)-1-(methylamino)ethyl]-N,N-diethylcyclopentan-1-amine
CID 79059412
2-(3-chloro-4-pyridinyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79658432
[1-(3-chloro-4-pyridinyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine
CID 105274087
3-ethyl-N,7-dimethyl-3-pyrrolidin-1-yloctan-4-amine
CID 79067196

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-3-ethyl-N-methyl-3-pyrrolidin-1-ylpentan-2-amine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-3-ethyl-N-methyl-3-pyrrolidin-1-ylpentan-2-amine (CID 79057135) is 1-(3-chloro-4-pyridinyl)-3-ethyl-N-methyl-3-pyrrolidin-1-ylpentan-2-amine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-3-ethyl-N-methyl-3-pyrrolidin-1-ylpentan-2-amine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-3-ethyl-N-methyl-3-pyrrolidin-1-ylpentan-2-amine is CCC(CC)(C(Cc1ccncc1Cl)NC)N1CCCC1.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-3-ethyl-N-methyl-3-pyrrolidin-1-ylpentan-2-amine?
The InChIKey is WDFLHTGMBFIQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN3/c1-4-17(5-2,21-10-6-7-11-21)16(19-3)12-14-8-9-20-13-15(14)18/h8-9,13,16,19H,4-7,10-12H2,1-3H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-3-ethyl-N-methyl-3-pyrrolidin-1-ylpentan-2-amine?
1-(3-chloro-4-pyridinyl)-3-ethyl-N-methyl-3-pyrrolidin-1-ylpentan-2-amine has a molecular weight of 309.88 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-3-ethyl-N-methyl-3-pyrrolidin-1-ylpentan-2-amine is sourced from PubChem (CID 79057135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).