N-[(3-cyclohex-2-en-1-yloxy-6-methyl-2-pyridinyl)methyl]cyclopropanamine

C16H22N2O — CID 114619858

IUPACN-[(3-cyclohex-2-en-1-yloxy-6-methyl-2-pyridinyl)methyl]cyclopropanamine
SMILESCc1ccc(OC2C=CCCC2)c(CNC2CC2)n1
InChIInChI=1S/C16H22N2O/c1-12-7-10-16(19-14-5-3-2-4-6-14)15(18-12)11-17-13-8-9-13/h3,5,7,10,13-14,17H,2,4,6,8-9,11H2,1H3
InChIKeyRCPYNOLIBMAVIV-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.13
Rot. Bonds5

About N-[(3-cyclohex-2-en-1-yloxy-6-methyl-2-pyridinyl)methyl]cyclopropanamine

N-[(3-cyclohex-2-en-1-yloxy-6-methyl-2-pyridinyl)methyl]cyclopropanamine (PubChem CID 114619858) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[(3-cyclohex-2-en-1-yloxy-6-methyl-2-pyridinyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-cyclohex-2-en-1-yloxy-6-methyl-2-pyridinyl)methyl]cyclopropanamine
PubChem CID114619858
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-[(3-cyclohex-2-en-1-yloxy-6-methyl-2-pyridinyl)methyl]cyclopropanamine
SMILESCc1ccc(OC2C=CCCC2)c(CNC2CC2)n1
InChIInChI=1S/C16H22N2O/c1-12-7-10-16(19-14-5-3-2-4-6-14)15(18-12)11-17-13-8-9-13/h3,5,7,10,13-14,17H,2,4,6,8-9,11H2,1H3
InChIKeyRCPYNOLIBMAVIV-UHFFFAOYSA-N
XLogP3.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.13
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-[(3-methoxy-6-methyl-2-pyridinyl)methyl]cyclopropanamine
CID 79156389
2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]cyclohexan-1-ol
CID 79158106
N-[[3-(difluoromethoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine
CID 79158454
6-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]hexan-1-ol
CID 107702712
1-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-2-methylpropan-2-ol
CID 79158447
N-[[6-methyl-3-[(6-methyl-2-pyridinyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 79262671
2-[(cyclobutylamino)methyl]-6-methylpyridin-3-ol
CID 78950424
N-[[3-[(4-bromophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]cyclopropanamine
CID 79158289
N-[[3-(3-ethylsulfonylpropoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine
CID 79158766
N-[[3-(3-methoxycyclohexyl)oxy-6-methyl-2-pyridinyl]methyl]ethanamine
CID 79150743
2-(3-cyclopentyloxy-6-methyl-2-pyridinyl)ethanamine
CID 79169733
N-[[3-[(2-chlorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]cyclopropanamine
CID 79156390

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclohex-2-en-1-yloxy-6-methyl-2-pyridinyl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-cyclohex-2-en-1-yloxy-6-methyl-2-pyridinyl)methyl]cyclopropanamine (CID 114619858) is N-[(3-cyclohex-2-en-1-yloxy-6-methyl-2-pyridinyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-cyclohex-2-en-1-yloxy-6-methyl-2-pyridinyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-cyclohex-2-en-1-yloxy-6-methyl-2-pyridinyl)methyl]cyclopropanamine is Cc1ccc(OC2C=CCCC2)c(CNC2CC2)n1.
What is the InChIKey of N-[(3-cyclohex-2-en-1-yloxy-6-methyl-2-pyridinyl)methyl]cyclopropanamine?
The InChIKey is RCPYNOLIBMAVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-7-10-16(19-14-5-3-2-4-6-14)15(18-12)11-17-13-8-9-13/h3,5,7,10,13-14,17H,2,4,6,8-9,11H2,1H3.
What are the key properties of N-[(3-cyclohex-2-en-1-yloxy-6-methyl-2-pyridinyl)methyl]cyclopropanamine?
N-[(3-cyclohex-2-en-1-yloxy-6-methyl-2-pyridinyl)methyl]cyclopropanamine has a molecular weight of 258.36 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclohex-2-en-1-yloxy-6-methyl-2-pyridinyl)methyl]cyclopropanamine is sourced from PubChem (CID 114619858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).