1-cyclohexyl-N-(2,5-dihydropyridin-4-ylmethyl)propan-2-amine

C15H26N2 — CID 123222540

IUPAC1-cyclohexyl-N-(2,5-dihydropyridin-4-ylmethyl)propan-2-amine
SMILESCC(CC1CCCCC1)NCC1=CCN=CC1
InChIInChI=1S/C15H26N2/c1-13(11-14-5-3-2-4-6-14)17-12-15-7-9-16-10-8-15/h7,10,13-14,17H,2-6,8-9,11-12H2,1H3
InChIKeyIOJSRLQJDBRSCC-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.34
Rot. Bonds5

About 1-cyclohexyl-N-(2,5-dihydropyridin-4-ylmethyl)propan-2-amine

1-cyclohexyl-N-(2,5-dihydropyridin-4-ylmethyl)propan-2-amine (PubChem CID 123222540) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-cyclohexyl-N-(2,5-dihydropyridin-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-(2,5-dihydropyridin-4-ylmethyl)propan-2-amine
PubChem CID123222540
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-cyclohexyl-N-(2,5-dihydropyridin-4-ylmethyl)propan-2-amine
SMILESCC(CC1CCCCC1)NCC1=CCN=CC1
InChIInChI=1S/C15H26N2/c1-13(11-14-5-3-2-4-6-14)17-12-15-7-9-16-10-8-15/h7,10,13-14,17H,2-6,8-9,11-12H2,1H3
InChIKeyIOJSRLQJDBRSCC-UHFFFAOYSA-N
XLogP3.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.34
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

3a,5,6,7,8,8a,9,9a-octahydro-3H-pyrrolo[2,3-g]isoquinoline
CID 56634276
3-N-(2-cyclohex-3-en-1-yl-4-methylcyclohexen-1-yl)-5-iminopentane-1,3-diamine
CID 89395409
4-Cyclohexyl-2-methyl-1,2,3,6-tetrahydropyridine
CID 89854364
2-(1,2,3,6-Tetrahydropyridin-3-yl)-2,3,4,5-tetrahydropyridine
CID 91078493
6-Cyclohexyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 118357210
6-Cyclohexyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 118357409
N-[1-(3,4-dihydropyridin-5-yl)ethyl]-4-(6-methylcyclohexa-1,5-dien-1-yl)-2-[1-(methylideneamino)ethylidene]cyclohexan-1-amine
CID 123203138
1-cyclohexyl-N-(2,5-dihydropyridin-3-ylmethyl)propan-2-amine
CID 123362170
N'-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propane-1,3-diimine
CID 123571231
1-cyclohexyl-N-(2,5-dihydropyridin-2-ylmethyl)propan-2-amine
CID 123814439
1-cyclohexyl-N-(3,4-dihydropyridin-5-ylmethyl)propan-2-amine
CID 123878687
N,5-diethyl-3-methyl-9-methyliminonon-3-en-1-amine
CID 123998295

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(2,5-dihydropyridin-4-ylmethyl)propan-2-amine?
The IUPAC name of 1-cyclohexyl-N-(2,5-dihydropyridin-4-ylmethyl)propan-2-amine (CID 123222540) is 1-cyclohexyl-N-(2,5-dihydropyridin-4-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-cyclohexyl-N-(2,5-dihydropyridin-4-ylmethyl)propan-2-amine?
The canonical SMILES for 1-cyclohexyl-N-(2,5-dihydropyridin-4-ylmethyl)propan-2-amine is CC(CC1CCCCC1)NCC1=CCN=CC1.
What is the InChIKey of 1-cyclohexyl-N-(2,5-dihydropyridin-4-ylmethyl)propan-2-amine?
The InChIKey is IOJSRLQJDBRSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-13(11-14-5-3-2-4-6-14)17-12-15-7-9-16-10-8-15/h7,10,13-14,17H,2-6,8-9,11-12H2,1H3.
What are the key properties of 1-cyclohexyl-N-(2,5-dihydropyridin-4-ylmethyl)propan-2-amine?
1-cyclohexyl-N-(2,5-dihydropyridin-4-ylmethyl)propan-2-amine has a molecular weight of 234.39 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(2,5-dihydropyridin-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 123222540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).