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1-cyclohexyl-N-(3,4-dihydropyridin-5-ylmethyl)propan-2-amine

C15H26N2 — CID 123878687

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-cyclohexyl-N-(3,4-dihydropyridin-5-ylmethyl)propan-2-amine
SMILESCC(CC1CCCCC1)NCC1=CN=CCC1
InChIInChI=1S/C15H26N2/c1-13(10-14-6-3-2-4-7-14)17-12-15-8-5-9-16-11-15/h9,11,13-14,17H,2-8,10,12H2,1H3
InChIKeyBIRRUDOTVJECDS-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.68
Rot. Bonds5

About 1-cyclohexyl-N-(3,4-dihydropyridin-5-ylmethyl)propan-2-amine

1-cyclohexyl-N-(3,4-dihydropyridin-5-ylmethyl)propan-2-amine (PubChem CID 123878687) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-cyclohexyl-N-(3,4-dihydropyridin-5-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-(3,4-dihydropyridin-5-ylmethyl)propan-2-amine
PubChem CID123878687
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-cyclohexyl-N-(3,4-dihydropyridin-5-ylmethyl)propan-2-amine
SMILESCC(CC1CCCCC1)NCC1=CN=CCC1
InChIInChI=1S/C15H26N2/c1-13(10-14-6-3-2-4-7-14)17-12-15-8-5-9-16-11-15/h9,11,13-14,17H,2-8,10,12H2,1H3
InChIKeyBIRRUDOTVJECDS-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(3,4-dihydropyridin-5-ylmethyl)propan-2-amine?
The IUPAC name of 1-cyclohexyl-N-(3,4-dihydropyridin-5-ylmethyl)propan-2-amine (CID 123878687) is 1-cyclohexyl-N-(3,4-dihydropyridin-5-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-cyclohexyl-N-(3,4-dihydropyridin-5-ylmethyl)propan-2-amine?
The canonical SMILES for 1-cyclohexyl-N-(3,4-dihydropyridin-5-ylmethyl)propan-2-amine is CC(CC1CCCCC1)NCC1=CN=CCC1.
What is the InChIKey of 1-cyclohexyl-N-(3,4-dihydropyridin-5-ylmethyl)propan-2-amine?
The InChIKey is BIRRUDOTVJECDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-13(10-14-6-3-2-4-7-14)17-12-15-8-5-9-16-11-15/h9,11,13-14,17H,2-8,10,12H2,1H3.
What are the key properties of 1-cyclohexyl-N-(3,4-dihydropyridin-5-ylmethyl)propan-2-amine?
1-cyclohexyl-N-(3,4-dihydropyridin-5-ylmethyl)propan-2-amine has a molecular weight of 234.39 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(3,4-dihydropyridin-5-ylmethyl)propan-2-amine is sourced from PubChem (CID 123878687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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