N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine

C14H25N3 — CID 66133237

IUPACN-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine
SMILESCCn1cncc1CNCC1CCC(C)CC1
InChIInChI=1S/C14H25N3/c1-3-17-11-16-10-14(17)9-15-8-13-6-4-12(2)5-7-13/h10-13,15H,3-9H2,1-2H3
InChIKeyWSKLTMSULVCKAZ-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.82
Rot. Bonds5

About N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine

N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine (PubChem CID 66133237) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine
PubChem CID66133237
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine
SMILESCCn1cncc1CNCC1CCC(C)CC1
InChIInChI=1S/C14H25N3/c1-3-17-11-16-10-14(17)9-15-8-13-6-4-12(2)5-7-13/h10-13,15H,3-9H2,1-2H3
InChIKeyWSKLTMSULVCKAZ-UHFFFAOYSA-N
XLogP2.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine?
The IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine (CID 66133237) is N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine is CCn1cncc1CNCC1CCC(C)CC1.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine?
The InChIKey is WSKLTMSULVCKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-17-11-16-10-14(17)9-15-8-13-6-4-12(2)5-7-13/h10-13,15H,3-9H2,1-2H3.
What are the key properties of N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine?
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine has a molecular weight of 235.37 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine is sourced from PubChem (CID 66133237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).