3-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1,3-diamine

C12H19N3O — CID 79462015

IUPAC3-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1,3-diamine
SMILESCOc1ncccc1CNC1CCC(N)C1
InChIInChI=1S/C12H19N3O/c1-16-12-9(3-2-6-14-12)8-15-11-5-4-10(13)7-11/h2-3,6,10-11,15H,4-5,7-8,13H2,1H3
InChIKeyXABCQOYYVDYWEB-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.06
Rot. Bonds4

About 3-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1,3-diamine

3-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1,3-diamine (PubChem CID 79462015) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1,3-diamine
PubChem CID79462015
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1,3-diamine
SMILESCOc1ncccc1CNC1CCC(N)C1
InChIInChI=1S/C12H19N3O/c1-16-12-9(3-2-6-14-12)8-15-11-5-4-10(13)7-11/h2-3,6,10-11,15H,4-5,7-8,13H2,1H3
InChIKeyXABCQOYYVDYWEB-UHFFFAOYSA-N
XLogP1.06
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292464
N-[(2-methoxy-3-pyridinyl)methyl]-4-methylcyclohexan-1-amine
CID 54926984
4-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclohexane-1,4-diamine
CID 79741488
3-N-[(3-ethyl-2-pyridinyl)methyl]cyclopentane-1,3-diamine
CID 82733670
N-[(2-methoxy-3-pyridinyl)methyl]thian-3-amine
CID 62870914
N-[(2-methoxy-3-pyridinyl)methyl]-1,1-dioxothiolan-3-amine
CID 54927047
1-[4-[(2-methoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone
CID 60762093
N-[(2-methoxy-3-pyridinyl)methyl]-2,6-dimethylcyclohexan-1-amine
CID 60859005
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
CID 62290526
N-[(2-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine
CID 66630014
tert-butyl N-[3-[(2-methoxy-3-pyridinyl)methylamino]cyclobutyl]carbamate
CID 103759532
3-N-[(2-bromophenyl)methyl]cyclopentane-1,3-diamine
CID 79462657

Frequently Asked Questions

What is the IUPAC name of 3-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1,3-diamine?
The IUPAC name of 3-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1,3-diamine (CID 79462015) is 3-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1,3-diamine is COc1ncccc1CNC1CCC(N)C1.
What is the InChIKey of 3-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1,3-diamine?
The InChIKey is XABCQOYYVDYWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-16-12-9(3-2-6-14-12)8-15-11-5-4-10(13)7-11/h2-3,6,10-11,15H,4-5,7-8,13H2,1H3.
What are the key properties of 3-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1,3-diamine?
3-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1,3-diamine has a molecular weight of 221.30 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1,3-diamine is sourced from PubChem (CID 79462015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).