N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-(3-methoxypropyl)-1-methylpiperidin-4-amine

C21H36N4O — CID 70714782

IUPACN-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-(3-methoxypropyl)-1-methylpiperidin-4-amine
SMILESCOCCCN(Cc1cnc(C2CCCCC2)nc1)C1CCN(C)CC1
InChIInChI=1S/C21H36N4O/c1-24-12-9-20(10-13-24)25(11-6-14-26-2)17-18-15-22-21(23-16-18)19-7-4-3-5-8-19/h15-16,19-20H,3-14,17H2,1-2H3
InChIKeyZSOXHYBUSFPYLP-UHFFFAOYSA-N
MW360.55 g/mol
LogP3.46
Rot. Bonds8

About N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-(3-methoxypropyl)-1-methylpiperidin-4-amine

N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-(3-methoxypropyl)-1-methylpiperidin-4-amine (PubChem CID 70714782) has the molecular formula C21H36N4O and a molecular weight of 360.55 g/mol. Its IUPAC name is N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-(3-methoxypropyl)-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-(3-methoxypropyl)-1-methylpiperidin-4-amine
PubChem CID70714782
Molecular FormulaC21H36N4O
Molecular Weight360.55 g/mol
Exact Mass360.29
IUPAC NameN-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-(3-methoxypropyl)-1-methylpiperidin-4-amine
SMILESCOCCCN(Cc1cnc(C2CCCCC2)nc1)C1CCN(C)CC1
InChIInChI=1S/C21H36N4O/c1-24-12-9-20(10-13-24)25(11-6-14-26-2)17-18-15-22-21(23-16-18)19-7-4-3-5-8-19/h15-16,19-20H,3-14,17H2,1-2H3
InChIKeyZSOXHYBUSFPYLP-UHFFFAOYSA-N
XLogP3.46
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.55
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-(3-methoxypropyl)-1-methylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 45185901
CID 45185901
CID 45239115
CID 45239115
CID 51594519
CID 51594519
CID 70769900
CID 70769900
CID 72898877
CID 72898877
CID 95857556
CID 95857556
CID 72861496
CID 72861496
CID 100622444
CID 100622444
CID 131928057
CID 131928057
CID 131931704
CID 131931704
CID 137957804
CID 137957804
CID 138005597
CID 138005597

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-(3-methoxypropyl)-1-methylpiperidin-4-amine?
The IUPAC name of N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-(3-methoxypropyl)-1-methylpiperidin-4-amine (CID 70714782) is N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-(3-methoxypropyl)-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-(3-methoxypropyl)-1-methylpiperidin-4-amine?
The canonical SMILES for N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-(3-methoxypropyl)-1-methylpiperidin-4-amine is COCCCN(Cc1cnc(C2CCCCC2)nc1)C1CCN(C)CC1.
What is the InChIKey of N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-(3-methoxypropyl)-1-methylpiperidin-4-amine?
The InChIKey is ZSOXHYBUSFPYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O/c1-24-12-9-20(10-13-24)25(11-6-14-26-2)17-18-15-22-21(23-16-18)19-7-4-3-5-8-19/h15-16,19-20H,3-14,17H2,1-2H3.
What are the key properties of N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-(3-methoxypropyl)-1-methylpiperidin-4-amine?
N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-(3-methoxypropyl)-1-methylpiperidin-4-amine has a molecular weight of 360.55 g/mol, XLogP of 3.46, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-(3-methoxypropyl)-1-methylpiperidin-4-amine is sourced from PubChem (CID 70714782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).