1-[(1-ethylimidazol-2-yl)methyl]-4-propylcycloheptan-1-amine

C16H29N3 — CID 79744545

IUPAC1-[(1-ethylimidazol-2-yl)methyl]-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(N)(Cc2nccn2CC)CC1
InChIInChI=1S/C16H29N3/c1-3-6-14-7-5-9-16(17,10-8-14)13-15-18-11-12-19(15)4-2/h11-12,14H,3-10,13,17H2,1-2H3
InChIKeyLWTWRDOAIGVJMC-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.52
Rot. Bonds5

About 1-[(1-ethylimidazol-2-yl)methyl]-4-propylcycloheptan-1-amine

1-[(1-ethylimidazol-2-yl)methyl]-4-propylcycloheptan-1-amine (PubChem CID 79744545) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-[(1-ethylimidazol-2-yl)methyl]-4-propylcycloheptan-1-amine.

Molecular Properties

Compound Name1-[(1-ethylimidazol-2-yl)methyl]-4-propylcycloheptan-1-amine
PubChem CID79744545
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1-[(1-ethylimidazol-2-yl)methyl]-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(N)(Cc2nccn2CC)CC1
InChIInChI=1S/C16H29N3/c1-3-6-14-7-5-9-16(17,10-8-14)13-15-18-11-12-19(15)4-2/h11-12,14H,3-10,13,17H2,1-2H3
InChIKeyLWTWRDOAIGVJMC-UHFFFAOYSA-N
XLogP3.52
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-methylimidazol-2-yl)ethyl]-4-propylcycloheptan-1-amine
CID 114529396
4-[(1-ethylimidazol-2-yl)methyl]oxan-4-amine
CID 79743997
3-methyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 79744716
2-(1-ethylimidazol-2-yl)-1-(4-propylcyclohexyl)ethanol
CID 79752753
2-(1-ethylimidazol-2-yl)-1-(4-propylcyclohexyl)ethanamine
CID 79761385
2-ethyl-1-[(1-ethylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 79744542
2-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-1H-naphthalen-2-amine
CID 79744347
1-[(3,4-difluorophenyl)methyl]-4-propylcycloheptan-1-amine
CID 82919808
1-[(1-ethylimidazol-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 79744452
1-[(2-bromophenyl)methyl]-4-propylcycloheptan-1-amine
CID 65086943
4-cyclopentyl-1-(1-ethylimidazol-2-yl)butan-2-amine
CID 105009415
1-[(1-ethylimidazol-2-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429783

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-4-propylcycloheptan-1-amine?
The IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-4-propylcycloheptan-1-amine (CID 79744545) is 1-[(1-ethylimidazol-2-yl)methyl]-4-propylcycloheptan-1-amine.
What is the SMILES notation for 1-[(1-ethylimidazol-2-yl)methyl]-4-propylcycloheptan-1-amine?
The canonical SMILES for 1-[(1-ethylimidazol-2-yl)methyl]-4-propylcycloheptan-1-amine is CCCC1CCCC(N)(Cc2nccn2CC)CC1.
What is the InChIKey of 1-[(1-ethylimidazol-2-yl)methyl]-4-propylcycloheptan-1-amine?
The InChIKey is LWTWRDOAIGVJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-3-6-14-7-5-9-16(17,10-8-14)13-15-18-11-12-19(15)4-2/h11-12,14H,3-10,13,17H2,1-2H3.
What are the key properties of 1-[(1-ethylimidazol-2-yl)methyl]-4-propylcycloheptan-1-amine?
1-[(1-ethylimidazol-2-yl)methyl]-4-propylcycloheptan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylimidazol-2-yl)methyl]-4-propylcycloheptan-1-amine is sourced from PubChem (CID 79744545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).