N-methyl-N-[(4-methylcyclohexen-1-yl)methyl]-2,3,4,5-tetrahydropyridin-4-amine

C14H24N2 — CID 71040680

IUPACN-methyl-N-[(4-methylcyclohexen-1-yl)methyl]-2,3,4,5-tetrahydropyridin-4-amine
SMILESCC1CC=C(CN(C)C2CC=NCC2)CC1
InChIInChI=1S/C14H24N2/c1-12-3-5-13(6-4-12)11-16(2)14-7-9-15-10-8-14/h5,9,12,14H,3-4,6-8,10-11H2,1-2H3
InChIKeySQBRZPCOTZUTDT-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.90
Rot. Bonds3

About N-methyl-N-[(4-methylcyclohexen-1-yl)methyl]-2,3,4,5-tetrahydropyridin-4-amine

N-methyl-N-[(4-methylcyclohexen-1-yl)methyl]-2,3,4,5-tetrahydropyridin-4-amine (PubChem CID 71040680) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-methyl-N-[(4-methylcyclohexen-1-yl)methyl]-2,3,4,5-tetrahydropyridin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[(4-methylcyclohexen-1-yl)methyl]-2,3,4,5-tetrahydropyridin-4-amine
PubChem CID71040680
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-methyl-N-[(4-methylcyclohexen-1-yl)methyl]-2,3,4,5-tetrahydropyridin-4-amine
SMILESCC1CC=C(CN(C)C2CC=NCC2)CC1
InChIInChI=1S/C14H24N2/c1-12-3-5-13(6-4-12)11-16(2)14-7-9-15-10-8-14/h5,9,12,14H,3-4,6-8,10-11H2,1-2H3
InChIKeySQBRZPCOTZUTDT-UHFFFAOYSA-N
XLogP2.90
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-N,N-dimethyl-6-(methyliminomethyl)-3-(trifluoromethyl)cyclohex-3-en-1-amine
CID 134459387
5-[(2S)-1-methylpyrrolidin-2-yl]-2,5-dihydropyridine
CID 90658037
3,6-di(propan-2-yl)-4,5,7,8-tetrahydro-3H-1,6-naphthyridine
CID 58748059
N,N-dimethyl-2-[5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3a,7a-dihydro-3H-indol-3-yl]ethanamine
CID 90870652
1-cyclohexyl-N-(2,5-dihydropyridin-3-ylmethyl)propan-2-amine
CID 123362170
5-(1-Methylpiperidin-4-yl)-2-propan-2-yl-2,3-dihydropyridine
CID 134364993
5-(1-Ethylpiperidin-4-yl)-2-azabicyclo[4.1.0]hepta-2,4-diene
CID 144477602
4-(1-Methylpiperidin-4-yl)-2,3-dihydropyridine
CID 146641297
CID 156868908
CID 156868908
1-methyl-4-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-3,6-dihydro-2H-pyridine
CID 164753594
1-methyl-2-[(6R)-6-methylcyclohex-3-en-1-yl]-2,3-dihydropyridin-1-ium
CID 169896854
N-(cyclohex-3-en-1-ylmethyl)-1-(1-methylpyrrolidin-2-yl)methanimine
CID 169907236

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylcyclohexen-1-yl)methyl]-2,3,4,5-tetrahydropyridin-4-amine?
The IUPAC name of N-methyl-N-[(4-methylcyclohexen-1-yl)methyl]-2,3,4,5-tetrahydropyridin-4-amine (CID 71040680) is N-methyl-N-[(4-methylcyclohexen-1-yl)methyl]-2,3,4,5-tetrahydropyridin-4-amine.
What is the SMILES notation for N-methyl-N-[(4-methylcyclohexen-1-yl)methyl]-2,3,4,5-tetrahydropyridin-4-amine?
The canonical SMILES for N-methyl-N-[(4-methylcyclohexen-1-yl)methyl]-2,3,4,5-tetrahydropyridin-4-amine is CC1CC=C(CN(C)C2CC=NCC2)CC1.
What is the InChIKey of N-methyl-N-[(4-methylcyclohexen-1-yl)methyl]-2,3,4,5-tetrahydropyridin-4-amine?
The InChIKey is SQBRZPCOTZUTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-12-3-5-13(6-4-12)11-16(2)14-7-9-15-10-8-14/h5,9,12,14H,3-4,6-8,10-11H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methylcyclohexen-1-yl)methyl]-2,3,4,5-tetrahydropyridin-4-amine?
N-methyl-N-[(4-methylcyclohexen-1-yl)methyl]-2,3,4,5-tetrahydropyridin-4-amine has a molecular weight of 220.36 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylcyclohexen-1-yl)methyl]-2,3,4,5-tetrahydropyridin-4-amine is sourced from PubChem (CID 71040680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).