1-cyclobutyl-5-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]imidazole;methanamine

C16H25N3 — CID 142340334

IUPAC1-cyclobutyl-5-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]imidazole;methanamine
SMILESC=C(/C(C)=C\C=C/C)c1cncn1C1CCC1.CN
InChIInChI=1S/C15H20N2.CH5N/c1-4-5-7-12(2)13(3)15-10-16-11-17(15)14-8-6-9-14;1-2/h4-5,7,10-11,14H,3,6,8-9H2,1-2H3;2H2,1H3/b5-4-,12-7-;
InChIKeyBLAVYTKLKCRYEC-GZKSZVSCSA-N
MW259.40 g/mol
LogP3.72
Rot. Bonds4

About 1-cyclobutyl-5-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]imidazole;methanamine

1-cyclobutyl-5-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]imidazole;methanamine (PubChem CID 142340334) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-cyclobutyl-5-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]imidazole;methanamine.

Molecular Properties

Compound Name1-cyclobutyl-5-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]imidazole;methanamine
PubChem CID142340334
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-cyclobutyl-5-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]imidazole;methanamine
SMILESC=C(/C(C)=C\C=C/C)c1cncn1C1CCC1.CN
InChIInChI=1S/C15H20N2.CH5N/c1-4-5-7-12(2)13(3)15-10-16-11-17(15)14-8-6-9-14;1-2/h4-5,7,10-11,14H,3,6,8-9H2,1-2H3;2H2,1H3/b5-4-,12-7-;
InChIKeyBLAVYTKLKCRYEC-GZKSZVSCSA-N
XLogP3.72
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopentyl-N'-hydroxyimidazole-4-carboximidamide
CID 83878931
3-cyclobutylimidazole-4-carboximidamide
CID 83873239
3-cyclopentylimidazole-4-carboxylic acid
CID 83875408
methyl 3-cyclohexylimidazole-4-carboxylate
CID 14497626
1-(3-cyclohexylimidazol-4-yl)propan-2-one
CID 83882909
2-amino-1-(3-cyclobutylimidazol-4-yl)ethanol
CID 83875789
2-(3-cyclobutylimidazol-4-yl)ethanamine
CID 83873401
4-(3-cyclopropylimidazol-4-yl)-2-methyl-4-oxobutanoic acid
CID 66161909
3-(3-cyclopropylimidazol-4-yl)-2-methylprop-2-enoic acid
CID 79726247
2-(3-cyclopentylimidazol-4-yl)propanoic acid
CID 83883850
3-(oxan-4-yl)imidazole-4-carboxylic acid
CID 83679108
5-(chloromethyl)-1-cyclohexylimidazole;hydrochloride
CID 53398878

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-5-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]imidazole;methanamine?
The IUPAC name of 1-cyclobutyl-5-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]imidazole;methanamine (CID 142340334) is 1-cyclobutyl-5-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]imidazole;methanamine.
What is the SMILES notation for 1-cyclobutyl-5-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]imidazole;methanamine?
The canonical SMILES for 1-cyclobutyl-5-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]imidazole;methanamine is C=C(/C(C)=C\C=C/C)c1cncn1C1CCC1.CN.
What is the InChIKey of 1-cyclobutyl-5-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]imidazole;methanamine?
The InChIKey is BLAVYTKLKCRYEC-GZKSZVSCSA-N. The full InChI is InChI=1S/C15H20N2.CH5N/c1-4-5-7-12(2)13(3)15-10-16-11-17(15)14-8-6-9-14;1-2/h4-5,7,10-11,14H,3,6,8-9H2,1-2H3;2H2,1H3/b5-4-,12-7-;.
What are the key properties of 1-cyclobutyl-5-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]imidazole;methanamine?
1-cyclobutyl-5-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]imidazole;methanamine has a molecular weight of 259.40 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-5-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]imidazole;methanamine is sourced from PubChem (CID 142340334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).