1-imidazol-1-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propan-2-amine

C18H32N4 — CID 50977912

IUPAC1-imidazol-1-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propan-2-amine
SMILESCC(Cn1ccnc1)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C18H32N4/c1-17(14-21-13-10-19-16-21)20-15-18(8-4-2-5-9-18)22-11-6-3-7-12-22/h10,13,16-17,20H,2-9,11-12,14-15H2,1H3
InChIKeyOTODNLJYTVHCAL-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.05
Rot. Bonds6

About 1-imidazol-1-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propan-2-amine

1-imidazol-1-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propan-2-amine (PubChem CID 50977912) has the molecular formula C18H32N4 and a molecular weight of 304.48 g/mol. Its IUPAC name is 1-imidazol-1-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-imidazol-1-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propan-2-amine
PubChem CID50977912
Molecular FormulaC18H32N4
Molecular Weight304.48 g/mol
Exact Mass304.26
IUPAC Name1-imidazol-1-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propan-2-amine
SMILESCC(Cn1ccnc1)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C18H32N4/c1-17(14-21-13-10-19-16-21)20-15-18(8-4-2-5-9-18)22-11-6-3-7-12-22/h10,13,16-17,20H,2-9,11-12,14-15H2,1H3
InChIKeyOTODNLJYTVHCAL-UHFFFAOYSA-N
XLogP3.05
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propan-2-amine?
The IUPAC name of 1-imidazol-1-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propan-2-amine (CID 50977912) is 1-imidazol-1-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propan-2-amine.
What is the SMILES notation for 1-imidazol-1-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propan-2-amine?
The canonical SMILES for 1-imidazol-1-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propan-2-amine is CC(Cn1ccnc1)NCC1(N2CCCCC2)CCCCC1.
What is the InChIKey of 1-imidazol-1-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propan-2-amine?
The InChIKey is OTODNLJYTVHCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4/c1-17(14-21-13-10-19-16-21)20-15-18(8-4-2-5-9-18)22-11-6-3-7-12-22/h10,13,16-17,20H,2-9,11-12,14-15H2,1H3.
What are the key properties of 1-imidazol-1-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propan-2-amine?
1-imidazol-1-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propan-2-amine has a molecular weight of 304.48 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propan-2-amine is sourced from PubChem (CID 50977912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).