N-[[2-(1-ethylpyrazol-4-yl)cycloheptyl]methyl]propan-2-amine

C16H29N3 — CID 81025706

IUPACN-[[2-(1-ethylpyrazol-4-yl)cycloheptyl]methyl]propan-2-amine
SMILESCCn1cc(C2CCCCCC2CNC(C)C)cn1
InChIInChI=1S/C16H29N3/c1-4-19-12-15(11-18-19)16-9-7-5-6-8-14(16)10-17-13(2)3/h11-14,16-17H,4-10H2,1-3H3
InChIKeyYCIIQPDQZYRPFX-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.56
Rot. Bonds5

About N-[[2-(1-ethylpyrazol-4-yl)cycloheptyl]methyl]propan-2-amine

N-[[2-(1-ethylpyrazol-4-yl)cycloheptyl]methyl]propan-2-amine (PubChem CID 81025706) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[[2-(1-ethylpyrazol-4-yl)cycloheptyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(1-ethylpyrazol-4-yl)cycloheptyl]methyl]propan-2-amine
PubChem CID81025706
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-[[2-(1-ethylpyrazol-4-yl)cycloheptyl]methyl]propan-2-amine
SMILESCCn1cc(C2CCCCCC2CNC(C)C)cn1
InChIInChI=1S/C16H29N3/c1-4-19-12-15(11-18-19)16-9-7-5-6-8-14(16)10-17-13(2)3/h11-14,16-17H,4-10H2,1-3H3
InChIKeyYCIIQPDQZYRPFX-UHFFFAOYSA-N
XLogP3.56
TPSA29.85 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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(1-methylpyrazol-4-yl)cyclopentyl]methyl]propan-2-amine
CID 81034337
N-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]propan-2-amine
CID 81017644
2-(1-ethylpyrazol-4-yl)cyclohexan-1-ol
CID 62595255
N-[[2-(1-ethylpyrazol-4-yl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81017767
(1S)-1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 81393534
N-[[1-methyl-2-(1-propylpyrazol-4-yl)azepan-3-yl]methyl]propan-2-amine
CID 103573232
2-(1-ethylpyrazol-4-yl)-N-methylcyclopentan-1-amine
CID 62603685
N-[(2-pyridin-3-ylcyclohexyl)methyl]propan-2-amine
CID 81027798
N-[[2-(1-ethylimidazol-2-yl)cycloheptyl]methyl]propan-2-amine
CID 81025106
N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-2-amine
CID 116507110
N-[[2-(3,4-dichlorophenyl)cyclohexyl]methyl]propan-2-amine
CID 81024326
1-[2-(1-ethylpyrazol-4-yl)-4-methylcyclohexyl]-N-methylmethanamine
CID 81025836

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethylpyrazol-4-yl)cycloheptyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(1-ethylpyrazol-4-yl)cycloheptyl]methyl]propan-2-amine (CID 81025706) is N-[[2-(1-ethylpyrazol-4-yl)cycloheptyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(1-ethylpyrazol-4-yl)cycloheptyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(1-ethylpyrazol-4-yl)cycloheptyl]methyl]propan-2-amine is CCn1cc(C2CCCCCC2CNC(C)C)cn1.
What is the InChIKey of N-[[2-(1-ethylpyrazol-4-yl)cycloheptyl]methyl]propan-2-amine?
The InChIKey is YCIIQPDQZYRPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-4-19-12-15(11-18-19)16-9-7-5-6-8-14(16)10-17-13(2)3/h11-14,16-17H,4-10H2,1-3H3.
What are the key properties of N-[[2-(1-ethylpyrazol-4-yl)cycloheptyl]methyl]propan-2-amine?
N-[[2-(1-ethylpyrazol-4-yl)cycloheptyl]methyl]propan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-ethylpyrazol-4-yl)cycloheptyl]methyl]propan-2-amine is sourced from PubChem (CID 81025706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).