2-(aminomethyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-methylcyclopentan-1-amine

C15H25N3O2 — CID 103173606

IUPAC2-(aminomethyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-methylcyclopentan-1-amine
SMILESCOc1ccnc(CN(C)C2CCCC2CN)c1OC
InChIInChI=1S/C15H25N3O2/c1-18(13-6-4-5-11(13)9-16)10-12-15(20-3)14(19-2)7-8-17-12/h7-8,11,13H,4-6,9-10,16H2,1-3H3
InChIKeyCPYWNLYPVIPZKQ-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.66
Rot. Bonds6

About 2-(aminomethyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-methylcyclopentan-1-amine

2-(aminomethyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-methylcyclopentan-1-amine (PubChem CID 103173606) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-methylcyclopentan-1-amine
PubChem CID103173606
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-(aminomethyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-methylcyclopentan-1-amine
SMILESCOc1ccnc(CN(C)C2CCCC2CN)c1OC
InChIInChI=1S/C15H25N3O2/c1-18(13-6-4-5-11(13)9-16)10-12-15(20-3)14(19-2)7-8-17-12/h7-8,11,13H,4-6,9-10,16H2,1-3H3
InChIKeyCPYWNLYPVIPZKQ-UHFFFAOYSA-N
XLogP1.66
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-methylcyclopentan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-methylcyclopentan-1-amine (CID 103173606) is 2-(aminomethyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-methylcyclopentan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-methylcyclopentan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-methylcyclopentan-1-amine is COc1ccnc(CN(C)C2CCCC2CN)c1OC.
What is the InChIKey of 2-(aminomethyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-methylcyclopentan-1-amine?
The InChIKey is CPYWNLYPVIPZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-18(13-6-4-5-11(13)9-16)10-12-15(20-3)14(19-2)7-8-17-12/h7-8,11,13H,4-6,9-10,16H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-methylcyclopentan-1-amine?
2-(aminomethyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-methylcyclopentan-1-amine has a molecular weight of 279.38 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-methylcyclopentan-1-amine is sourced from PubChem (CID 103173606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).