1-cyclohex-3-en-1-yl-N-[(1-propylimidazol-2-yl)methyl]methanamine

C14H23N3 — CID 55153468

IUPAC1-cyclohex-3-en-1-yl-N-[(1-propylimidazol-2-yl)methyl]methanamine
SMILESCCCn1ccnc1CNCC1CC=CCC1
InChIInChI=1S/C14H23N3/c1-2-9-17-10-8-16-14(17)12-15-11-13-6-4-3-5-7-13/h3-4,8,10,13,15H,2,5-7,9,11-12H2,1H3
InChIKeyFTDZQIVEJWKDDR-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.74
Rot. Bonds6

About 1-cyclohex-3-en-1-yl-N-[(1-propylimidazol-2-yl)methyl]methanamine

1-cyclohex-3-en-1-yl-N-[(1-propylimidazol-2-yl)methyl]methanamine (PubChem CID 55153468) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-N-[(1-propylimidazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-N-[(1-propylimidazol-2-yl)methyl]methanamine
PubChem CID55153468
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-cyclohex-3-en-1-yl-N-[(1-propylimidazol-2-yl)methyl]methanamine
SMILESCCCn1ccnc1CNCC1CC=CCC1
InChIInChI=1S/C14H23N3/c1-2-9-17-10-8-16-14(17)12-15-11-13-6-4-3-5-7-13/h3-4,8,10,13,15H,2,5-7,9,11-12H2,1H3
InChIKeyFTDZQIVEJWKDDR-UHFFFAOYSA-N
XLogP2.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclopropylmethylamino)-3-(1-propylimidazol-2-yl)propan-2-one
CID 116557654
4-ethyl-1-[[(1-propylimidazol-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 65116048
4-[[(1-ethylimidazol-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 106126176
N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine
CID 62957533
N'-[(1-propylimidazol-2-yl)methyl]ethane-1,2-diamine
CID 62957721
2-[1-[[(1-propylimidazol-2-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114756038
3-propoxy-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 82941127
1-methyl-3-[(1-propylimidazol-2-yl)methylamino]pyrrolidin-2-one
CID 114164351
N-(cyclopentylmethyl)-2-(2-ethylimidazol-1-yl)ethanamine
CID 62567010
(1S)-1-cyclopentyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 81394730
1-(2-methylpyrazol-3-yl)-N-[(1-propylimidazol-2-yl)methyl]methanamine
CID 63302358
1-(2-ethylphenyl)-N-[(1-propylimidazol-2-yl)methyl]methanamine
CID 64680507

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-3-en-1-yl-N-[(1-propylimidazol-2-yl)methyl]methanamine?
The IUPAC name of 1-cyclohex-3-en-1-yl-N-[(1-propylimidazol-2-yl)methyl]methanamine (CID 55153468) is 1-cyclohex-3-en-1-yl-N-[(1-propylimidazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-N-[(1-propylimidazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-cyclohex-3-en-1-yl-N-[(1-propylimidazol-2-yl)methyl]methanamine is CCCn1ccnc1CNCC1CC=CCC1.
What is the InChIKey of 1-cyclohex-3-en-1-yl-N-[(1-propylimidazol-2-yl)methyl]methanamine?
The InChIKey is FTDZQIVEJWKDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-2-9-17-10-8-16-14(17)12-15-11-13-6-4-3-5-7-13/h3-4,8,10,13,15H,2,5-7,9,11-12H2,1H3.
What are the key properties of 1-cyclohex-3-en-1-yl-N-[(1-propylimidazol-2-yl)methyl]methanamine?
1-cyclohex-3-en-1-yl-N-[(1-propylimidazol-2-yl)methyl]methanamine has a molecular weight of 233.36 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-yl-N-[(1-propylimidazol-2-yl)methyl]methanamine is sourced from PubChem (CID 55153468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).