5-cyclohexyl-N-ethyl-N-[3-(4-pyrimidin-2-ylphenyl)propyl]pentan-1-amine

C26H39N3 — CID 91212581

IUPAC5-cyclohexyl-N-ethyl-N-[3-(4-pyrimidin-2-ylphenyl)propyl]pentan-1-amine
SMILESCCN(CCCCCC1CCCCC1)CCCc1ccc(-c2ncccn2)cc1
InChIInChI=1S/C26H39N3/c1-2-29(21-8-4-7-13-23-11-5-3-6-12-23)22-9-14-24-15-17-25(18-16-24)26-27-19-10-20-28-26/h10,15-20,23H,2-9,11-14,21-22H2,1H3
InChIKeyILWQXKOORMUSPG-UHFFFAOYSA-N
MW393.62 g/mol
LogP6.54
Rot. Bonds12

About 5-cyclohexyl-N-ethyl-N-[3-(4-pyrimidin-2-ylphenyl)propyl]pentan-1-amine

5-cyclohexyl-N-ethyl-N-[3-(4-pyrimidin-2-ylphenyl)propyl]pentan-1-amine (PubChem CID 91212581) has the molecular formula C26H39N3 and a molecular weight of 393.62 g/mol. Its IUPAC name is 5-cyclohexyl-N-ethyl-N-[3-(4-pyrimidin-2-ylphenyl)propyl]pentan-1-amine.

Molecular Properties

Compound Name5-cyclohexyl-N-ethyl-N-[3-(4-pyrimidin-2-ylphenyl)propyl]pentan-1-amine
PubChem CID91212581
Molecular FormulaC26H39N3
Molecular Weight393.62 g/mol
Exact Mass393.31
IUPAC Name5-cyclohexyl-N-ethyl-N-[3-(4-pyrimidin-2-ylphenyl)propyl]pentan-1-amine
SMILESCCN(CCCCCC1CCCCC1)CCCc1ccc(-c2ncccn2)cc1
InChIInChI=1S/C26H39N3/c1-2-29(21-8-4-7-13-23-11-5-3-6-12-23)22-9-14-24-15-17-25(18-16-24)26-27-19-10-20-28-26/h10,15-20,23H,2-9,11-14,21-22H2,1H3
InChIKeyILWQXKOORMUSPG-UHFFFAOYSA-N
XLogP6.54
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.62
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-aminocyclohexyl)methyl]-N'-ethyl-N'-[3-(4-pyrimidin-2-ylphenyl)propyl]propane-1,3-diamine
CID 59229945
10-cyclohexyl-N,N-diethyldecan-1-amine;hydrate
CID 173347428
N,N-dimethyl-3-(4-pyrimidin-2-ylphenyl)propan-1-amine
CID 170866043
5-nonyl-2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyrimidine
CID 19839661
2-(4-heptylphenyl)-5-[2-(4-nonylcyclohexyl)ethyl]pyrimidine
CID 54214965
2-[4-(4-hexylphenyl)phenyl]pyrimidine
CID 57180081
2-[4-(4-butylphenyl)phenyl]pyrimidine
CID 57129115
N-[(4-aminocyclohexyl)methyl]-N'-ethyl-N'-[(4-pyrimidin-2-ylphenyl)methyl]propane-1,3-diamine
CID 70840195
1-(3-cyclopentylpropyl)-4-methylbenzene
CID 149264652
[2-[4-(4-pentylphenyl)phenyl]pyrimidin-5-yl] 7-cyclopentylheptanoate
CID 19083468
1-(10-cyclohexyldecyl)-4-iodobenzene
CID 129287266
2-[3-cyclohexyl-4-(4-pentylcyclohexyl)phenyl]pyrimidine
CID 67590527

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-N-ethyl-N-[3-(4-pyrimidin-2-ylphenyl)propyl]pentan-1-amine?
The IUPAC name of 5-cyclohexyl-N-ethyl-N-[3-(4-pyrimidin-2-ylphenyl)propyl]pentan-1-amine (CID 91212581) is 5-cyclohexyl-N-ethyl-N-[3-(4-pyrimidin-2-ylphenyl)propyl]pentan-1-amine.
What is the SMILES notation for 5-cyclohexyl-N-ethyl-N-[3-(4-pyrimidin-2-ylphenyl)propyl]pentan-1-amine?
The canonical SMILES for 5-cyclohexyl-N-ethyl-N-[3-(4-pyrimidin-2-ylphenyl)propyl]pentan-1-amine is CCN(CCCCCC1CCCCC1)CCCc1ccc(-c2ncccn2)cc1.
What is the InChIKey of 5-cyclohexyl-N-ethyl-N-[3-(4-pyrimidin-2-ylphenyl)propyl]pentan-1-amine?
The InChIKey is ILWQXKOORMUSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3/c1-2-29(21-8-4-7-13-23-11-5-3-6-12-23)22-9-14-24-15-17-25(18-16-24)26-27-19-10-20-28-26/h10,15-20,23H,2-9,11-14,21-22H2,1H3.
What are the key properties of 5-cyclohexyl-N-ethyl-N-[3-(4-pyrimidin-2-ylphenyl)propyl]pentan-1-amine?
5-cyclohexyl-N-ethyl-N-[3-(4-pyrimidin-2-ylphenyl)propyl]pentan-1-amine has a molecular weight of 393.62 g/mol, XLogP of 6.54, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-N-ethyl-N-[3-(4-pyrimidin-2-ylphenyl)propyl]pentan-1-amine is sourced from PubChem (CID 91212581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).