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

C14H26N2 — CID 106314902

IUPAC[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexyl]methanamine
SMILESCC1=CCCN(CC2CCC(CN)CC2)C1
InChIInChI=1S/C14H26N2/c1-12-3-2-8-16(10-12)11-14-6-4-13(9-15)5-7-14/h3,13-14H,2,4-11,15H2,1H3
InChIKeyGXALEQVBKQKICP-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.40
Rot. Bonds3

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

[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexyl]methanamine (PubChem CID 106314902) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is [4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexyl]methanamine
PubChem CID106314902
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexyl]methanamine
SMILESCC1=CCCN(CC2CCC(CN)CC2)C1
InChIInChI=1S/C14H26N2/c1-12-3-2-8-16(10-12)11-14-6-4-13(9-15)5-7-14/h3,13-14H,2,4-11,15H2,1H3
InChIKeyGXALEQVBKQKICP-UHFFFAOYSA-N
XLogP2.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopentan-1-amine
CID 106315052
5-methyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine
CID 130194944
[2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexyl]methanamine
CID 106314928
2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-amine
CID 106314830
4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine
CID 106315085
6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-amine
CID 106314964
[1-(cyclopropylmethyl)piperidin-4-yl]methanamine;hydrochloride
CID 163375972
3-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane
CID 106314982
3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]morpholine
CID 106314919
1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclobutan-1-amine
CID 106314909
1-(2-methoxyethyl)-5-methyl-3,6-dihydro-2H-pyridine
CID 177317447
2-methyl-N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 106316749

Frequently Asked Questions

What is the IUPAC name of [4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexyl]methanamine?
The IUPAC name of [4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexyl]methanamine (CID 106314902) is [4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexyl]methanamine?
The canonical SMILES for [4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexyl]methanamine is CC1=CCCN(CC2CCC(CN)CC2)C1.
What is the InChIKey of [4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexyl]methanamine?
The InChIKey is GXALEQVBKQKICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-12-3-2-8-16(10-12)11-14-6-4-13(9-15)5-7-14/h3,13-14H,2,4-11,15H2,1H3.
What are the key properties of [4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexyl]methanamine?
[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexyl]methanamine has a molecular weight of 222.38 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 106314902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).