N-[(2-methylcyclohexyl)methyl]-1-prop-2-enylimidazol-2-amine

C14H23N3 — CID 106563824

IUPACN-[(2-methylcyclohexyl)methyl]-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1ccnc1NCC1CCCCC1C
InChIInChI=1S/C14H23N3/c1-3-9-17-10-8-15-14(17)16-11-13-7-5-4-6-12(13)2/h3,8,10,12-13H,1,4-7,9,11H2,2H3,(H,15,16)
InChIKeyXVJHFNDXURJMJK-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.31
Rot. Bonds5

About N-[(2-methylcyclohexyl)methyl]-1-prop-2-enylimidazol-2-amine

N-[(2-methylcyclohexyl)methyl]-1-prop-2-enylimidazol-2-amine (PubChem CID 106563824) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-[(2-methylcyclohexyl)methyl]-1-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound NameN-[(2-methylcyclohexyl)methyl]-1-prop-2-enylimidazol-2-amine
PubChem CID106563824
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-[(2-methylcyclohexyl)methyl]-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1ccnc1NCC1CCCCC1C
InChIInChI=1S/C14H23N3/c1-3-9-17-10-8-15-14(17)16-11-13-7-5-4-6-12(13)2/h3,8,10,12-13H,1,4-7,9,11H2,2H3,(H,15,16)
InChIKeyXVJHFNDXURJMJK-UHFFFAOYSA-N
XLogP3.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclohexyl)methyl]-1-prop-2-enylimidazol-2-amine?
The IUPAC name of N-[(2-methylcyclohexyl)methyl]-1-prop-2-enylimidazol-2-amine (CID 106563824) is N-[(2-methylcyclohexyl)methyl]-1-prop-2-enylimidazol-2-amine.
What is the SMILES notation for N-[(2-methylcyclohexyl)methyl]-1-prop-2-enylimidazol-2-amine?
The canonical SMILES for N-[(2-methylcyclohexyl)methyl]-1-prop-2-enylimidazol-2-amine is C=CCn1ccnc1NCC1CCCCC1C.
What is the InChIKey of N-[(2-methylcyclohexyl)methyl]-1-prop-2-enylimidazol-2-amine?
The InChIKey is XVJHFNDXURJMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-3-9-17-10-8-15-14(17)16-11-13-7-5-4-6-12(13)2/h3,8,10,12-13H,1,4-7,9,11H2,2H3,(H,15,16).
What are the key properties of N-[(2-methylcyclohexyl)methyl]-1-prop-2-enylimidazol-2-amine?
N-[(2-methylcyclohexyl)methyl]-1-prop-2-enylimidazol-2-amine has a molecular weight of 233.36 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclohexyl)methyl]-1-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106563824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).