1-[2-(1-methylimidazol-2-yl)ethyl]-4-propylcycloheptan-1-amine

C16H29N3 — CID 114529396

IUPAC1-[2-(1-methylimidazol-2-yl)ethyl]-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(N)(CCc2nccn2C)CC1
InChIInChI=1S/C16H29N3/c1-3-5-14-6-4-9-16(17,10-7-14)11-8-15-18-12-13-19(15)2/h12-14H,3-11,17H2,1-2H3
InChIKeyHOTKUIBKOBCPNB-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.43
Rot. Bonds5

About 1-[2-(1-methylimidazol-2-yl)ethyl]-4-propylcycloheptan-1-amine

1-[2-(1-methylimidazol-2-yl)ethyl]-4-propylcycloheptan-1-amine (PubChem CID 114529396) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-[2-(1-methylimidazol-2-yl)ethyl]-4-propylcycloheptan-1-amine.

Molecular Properties

Compound Name1-[2-(1-methylimidazol-2-yl)ethyl]-4-propylcycloheptan-1-amine
PubChem CID114529396
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1-[2-(1-methylimidazol-2-yl)ethyl]-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(N)(CCc2nccn2C)CC1
InChIInChI=1S/C16H29N3/c1-3-5-14-6-4-9-16(17,10-7-14)11-8-15-18-12-13-19(15)2/h12-14H,3-11,17H2,1-2H3
InChIKeyHOTKUIBKOBCPNB-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-ethylimidazol-2-yl)methyl]-4-propylcycloheptan-1-amine
CID 79744545
3-amino-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol
CID 114529231
1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 79744907
3-methyl-3-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-amine
CID 114532157
4-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid
CID 114532598
2-(1-methylimidazol-2-yl)-1-(4-propylcyclohexyl)ethanamine
CID 79761258
1-cyclopentyl-5-(1-methylimidazol-2-yl)pentan-3-ol
CID 115838050
2-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine
CID 114529366
methanamine;1-methyl-2-propylimidazole
CID 164902083
N-[[1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentyl]methyl]propan-2-amine
CID 114531428
4-butyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 103017111
2-[2-[1-(bromomethyl)cyclopentyl]ethyl]-1-methylimidazole
CID 114532734

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylimidazol-2-yl)ethyl]-4-propylcycloheptan-1-amine?
The IUPAC name of 1-[2-(1-methylimidazol-2-yl)ethyl]-4-propylcycloheptan-1-amine (CID 114529396) is 1-[2-(1-methylimidazol-2-yl)ethyl]-4-propylcycloheptan-1-amine.
What is the SMILES notation for 1-[2-(1-methylimidazol-2-yl)ethyl]-4-propylcycloheptan-1-amine?
The canonical SMILES for 1-[2-(1-methylimidazol-2-yl)ethyl]-4-propylcycloheptan-1-amine is CCCC1CCCC(N)(CCc2nccn2C)CC1.
What is the InChIKey of 1-[2-(1-methylimidazol-2-yl)ethyl]-4-propylcycloheptan-1-amine?
The InChIKey is HOTKUIBKOBCPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-3-5-14-6-4-9-16(17,10-7-14)11-8-15-18-12-13-19(15)2/h12-14H,3-11,17H2,1-2H3.
What are the key properties of 1-[2-(1-methylimidazol-2-yl)ethyl]-4-propylcycloheptan-1-amine?
1-[2-(1-methylimidazol-2-yl)ethyl]-4-propylcycloheptan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylimidazol-2-yl)ethyl]-4-propylcycloheptan-1-amine is sourced from PubChem (CID 114529396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).