N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]cycloheptyl]methyl]ethanamine

C16H29N3 — CID 103020025

IUPACN-[[2-[2-(2-methylpyrazol-3-yl)ethyl]cycloheptyl]methyl]ethanamine
SMILESCCNCC1CCCCCC1CCc1ccnn1C
InChIInChI=1S/C16H29N3/c1-3-17-13-15-8-6-4-5-7-14(15)9-10-16-11-12-18-19(16)2/h11-12,14-15,17H,3-10,13H2,1-2H3
InChIKeyOXKAEIDEVOOWQT-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.16
Rot. Bonds6

About N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]cycloheptyl]methyl]ethanamine

N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]cycloheptyl]methyl]ethanamine (PubChem CID 103020025) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]cycloheptyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[2-(2-methylpyrazol-3-yl)ethyl]cycloheptyl]methyl]ethanamine
PubChem CID103020025
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-[[2-[2-(2-methylpyrazol-3-yl)ethyl]cycloheptyl]methyl]ethanamine
SMILESCCNCC1CCCCCC1CCc1ccnn1C
InChIInChI=1S/C16H29N3/c1-3-17-13-15-8-6-4-5-7-14(15)9-10-16-11-12-18-19(16)2/h11-12,14-15,17H,3-10,13H2,1-2H3
InChIKeyOXKAEIDEVOOWQT-UHFFFAOYSA-N
XLogP3.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]-4-propylcyclohexyl]methyl]ethanamine
CID 103020129
N-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 103004400
2-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 113442329
2-[2-(2-methylpyrazol-3-yl)ethyl]azepane
CID 103015057
N-[[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexyl]methyl]ethanamine
CID 81028517
5-[2-(5-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)ethyl]-1-methylpyrazole
CID 103013891
[4-tert-butyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexyl]methanamine
CID 103019741
N-[(1-methylpiperidin-2-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 103001171
4-[2-(2-methylpyrazol-3-yl)ethyl]thiolan-3-amine
CID 103004598
1-(7-bicyclo[4.1.0]heptanyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030487
1-cyclohexyl-4-(2-methylpyrazol-3-yl)butan-2-one
CID 103024333
4-[2-(2-methylpyrazol-3-yl)ethyl]-N-propylthiolan-3-amine
CID 103004607

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]cycloheptyl]methyl]ethanamine?
The IUPAC name of N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]cycloheptyl]methyl]ethanamine (CID 103020025) is N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]cycloheptyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]cycloheptyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]cycloheptyl]methyl]ethanamine is CCNCC1CCCCCC1CCc1ccnn1C.
What is the InChIKey of N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]cycloheptyl]methyl]ethanamine?
The InChIKey is OXKAEIDEVOOWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-3-17-13-15-8-6-4-5-7-14(15)9-10-16-11-12-18-19(16)2/h11-12,14-15,17H,3-10,13H2,1-2H3.
What are the key properties of N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]cycloheptyl]methyl]ethanamine?
N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]cycloheptyl]methyl]ethanamine has a molecular weight of 263.43 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]cycloheptyl]methyl]ethanamine is sourced from PubChem (CID 103020025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).