[1-[(6-chloro-2-pyridinyl)methyl]-5-methylpyrrolidin-3-yl]methanamine

C12H18ClN3 — CID 115486064

IUPAC[1-[(6-chloro-2-pyridinyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
SMILESCC1CC(CN)CN1Cc1cccc(Cl)n1
InChIInChI=1S/C12H18ClN3/c1-9-5-10(6-14)7-16(9)8-11-3-2-4-12(13)15-11/h2-4,9-10H,5-8,14H2,1H3
InChIKeyKTCNVNOULDEYSV-UHFFFAOYSA-N
MW239.75 g/mol
LogP1.90
Rot. Bonds3

About [1-[(6-chloro-2-pyridinyl)methyl]-5-methylpyrrolidin-3-yl]methanamine

[1-[(6-chloro-2-pyridinyl)methyl]-5-methylpyrrolidin-3-yl]methanamine (PubChem CID 115486064) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is [1-[(6-chloro-2-pyridinyl)methyl]-5-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(6-chloro-2-pyridinyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
PubChem CID115486064
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name[1-[(6-chloro-2-pyridinyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
SMILESCC1CC(CN)CN1Cc1cccc(Cl)n1
InChIInChI=1S/C12H18ClN3/c1-9-5-10(6-14)7-16(9)8-11-3-2-4-12(13)15-11/h2-4,9-10H,5-8,14H2,1H3
InChIKeyKTCNVNOULDEYSV-UHFFFAOYSA-N
XLogP1.90
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 115486413
[1-[(6-chloro-2-pyridinyl)methyl]-4-ethylpiperidin-2-yl]methanamine
CID 103353142
[1-[(2-chlorothiophen-3-yl)methyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120842955
[5-methyl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methanamine
CID 115486083
2-[(6-chloro-2-pyridinyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79038404
[5-methyl-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]methanamine
CID 115486401
[5-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 115486360
methyl 6-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyridine-2-carboxylate
CID 106905086
[1-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 104792901
[5-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120843071
[1-[(6-chloro-2-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102778604
[1-[[4-(difluoromethoxy)phenyl]methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 115486318

Frequently Asked Questions

What is the IUPAC name of [1-[(6-chloro-2-pyridinyl)methyl]-5-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[(6-chloro-2-pyridinyl)methyl]-5-methylpyrrolidin-3-yl]methanamine (CID 115486064) is [1-[(6-chloro-2-pyridinyl)methyl]-5-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[(6-chloro-2-pyridinyl)methyl]-5-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[(6-chloro-2-pyridinyl)methyl]-5-methylpyrrolidin-3-yl]methanamine is CC1CC(CN)CN1Cc1cccc(Cl)n1.
What is the InChIKey of [1-[(6-chloro-2-pyridinyl)methyl]-5-methylpyrrolidin-3-yl]methanamine?
The InChIKey is KTCNVNOULDEYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-9-5-10(6-14)7-16(9)8-11-3-2-4-12(13)15-11/h2-4,9-10H,5-8,14H2,1H3.
What are the key properties of [1-[(6-chloro-2-pyridinyl)methyl]-5-methylpyrrolidin-3-yl]methanamine?
[1-[(6-chloro-2-pyridinyl)methyl]-5-methylpyrrolidin-3-yl]methanamine has a molecular weight of 239.75 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6-chloro-2-pyridinyl)methyl]-5-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 115486064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).