[4-(aminomethyl)cyclohexyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone

C14H24N2O — CID 106314019

IUPAC[4-(aminomethyl)cyclohexyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCC1=CCCN(C(=O)C2CCC(CN)CC2)C1
InChIInChI=1S/C14H24N2O/c1-11-3-2-8-16(10-11)14(17)13-6-4-12(9-15)5-7-13/h3,12-13H,2,4-10,15H2,1H3
InChIKeyWUZGRKXRXHNQNE-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.93
Rot. Bonds2

About [4-(aminomethyl)cyclohexyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone

[4-(aminomethyl)cyclohexyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 106314019) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is [4-(aminomethyl)cyclohexyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)cyclohexyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID106314019
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name[4-(aminomethyl)cyclohexyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCC1=CCCN(C(=O)C2CCC(CN)CC2)C1
InChIInChI=1S/C14H24N2O/c1-11-3-2-8-16(10-11)14(17)13-6-4-12(9-15)5-7-13/h3,12-13H,2,4-10,15H2,1H3
InChIKeyWUZGRKXRXHNQNE-UHFFFAOYSA-N
XLogP1.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)cyclohexyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of [4-(aminomethyl)cyclohexyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 106314019) is [4-(aminomethyl)cyclohexyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)cyclohexyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for [4-(aminomethyl)cyclohexyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone is CC1=CCCN(C(=O)C2CCC(CN)CC2)C1.
What is the InChIKey of [4-(aminomethyl)cyclohexyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is WUZGRKXRXHNQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11-3-2-8-16(10-11)14(17)13-6-4-12(9-15)5-7-13/h3,12-13H,2,4-10,15H2,1H3.
What are the key properties of [4-(aminomethyl)cyclohexyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
[4-(aminomethyl)cyclohexyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 236.36 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)cyclohexyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 106314019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).