N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]cyclopropanamine

C14H19N3 — CID 114412519

IUPACN-[[6-(3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
SMILESC1=CCN(c2cccc(CNC3CC3)n2)CC1
InChIInChI=1S/C14H19N3/c1-2-9-17(10-3-1)14-6-4-5-13(16-14)11-15-12-7-8-12/h1-2,4-6,12,15H,3,7-11H2
InChIKeyMAOCPYGSGUOYHM-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.10
Rot. Bonds4

About N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]cyclopropanamine

N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 114412519) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
PubChem CID114412519
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-[[6-(3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
SMILESC1=CCN(c2cccc(CNC3CC3)n2)CC1
InChIInChI=1S/C14H19N3/c1-2-9-17(10-3-1)14-6-4-5-13(16-14)11-15-12-7-8-12/h1-2,4-6,12,15H,3,7-11H2
InChIKeyMAOCPYGSGUOYHM-UHFFFAOYSA-N
XLogP2.10
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[6-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 103539487
N-[[6-(4,4-diethylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 63159883
N-[[6-(4-ethyl-3-methylpiperazin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 63620942
N-[[6-[4-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methyl]cyclopropanamine
CID 62776079
N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]cyclopropanamine
CID 62293253
N-[[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 65324562
N-[[6-(2,3-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 62286910
N-[[6-(3,4,5-trimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 55059038
N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 55059405
N-[[6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 62287746
N-[(6-bromo-2-pyridinyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 115937851
1-[6-(3,4-dimethylpiperazin-1-yl)-2-pyridinyl]-N-methylmethanamine
CID 63621802

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]cyclopropanamine (CID 114412519) is N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]cyclopropanamine is C1=CCN(c2cccc(CNC3CC3)n2)CC1.
What is the InChIKey of N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is MAOCPYGSGUOYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-2-9-17(10-3-1)14-6-4-5-13(16-14)11-15-12-7-8-12/h1-2,4-6,12,15H,3,7-11H2.
What are the key properties of N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 229.33 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 114412519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).