N-[(3-methylcyclohexyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine

C13H23N3 — CID 103884007

IUPACN-[(3-methylcyclohexyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
SMILESCC1CCCC(CNC(C)c2cn[nH]c2)C1
InChIInChI=1S/C13H23N3/c1-10-4-3-5-12(6-10)7-14-11(2)13-8-15-16-9-13/h8-12,14H,3-7H2,1-2H3,(H,15,16)
InChIKeyYEXMPLPGZNPEQA-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.89
Rot. Bonds4

About N-[(3-methylcyclohexyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine

N-[(3-methylcyclohexyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine (PubChem CID 103884007) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[(3-methylcyclohexyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-methylcyclohexyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
PubChem CID103884007
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[(3-methylcyclohexyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
SMILESCC1CCCC(CNC(C)c2cn[nH]c2)C1
InChIInChI=1S/C13H23N3/c1-10-4-3-5-12(6-10)7-14-11(2)13-8-15-16-9-13/h8-12,14H,3-7H2,1-2H3,(H,15,16)
InChIKeyYEXMPLPGZNPEQA-UHFFFAOYSA-N
XLogP2.89
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(oxan-4-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine
CID 103854849
(1S)-1-(4-bromophenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 81359380
(1R)-N-[(3-methylcyclohexyl)methyl]-1-pyridin-3-ylethanamine
CID 81404492
3-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 103905316
1-(furan-3-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 115712271
2-[4-[1-[(3-methylcyclohexyl)methylamino]ethyl]phenoxy]acetonitrile
CID 103883947
(1S)-1-(3-bromophenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 81382312
1-(4-fluorophenyl)-N-[(3-methylcyclopentyl)methyl]ethanamine
CID 107411910
(1S)-1-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 81397121
2-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopentan-1-amine
CID 106209280
N-(cyclobutylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43298332
1-(1,3-dimethylpyrazol-4-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 103778774

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylcyclohexyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine?
The IUPAC name of N-[(3-methylcyclohexyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine (CID 103884007) is N-[(3-methylcyclohexyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[(3-methylcyclohexyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine?
The canonical SMILES for N-[(3-methylcyclohexyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine is CC1CCCC(CNC(C)c2cn[nH]c2)C1.
What is the InChIKey of N-[(3-methylcyclohexyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine?
The InChIKey is YEXMPLPGZNPEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10-4-3-5-12(6-10)7-14-11(2)13-8-15-16-9-13/h8-12,14H,3-7H2,1-2H3,(H,15,16).
What are the key properties of N-[(3-methylcyclohexyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine?
N-[(3-methylcyclohexyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine has a molecular weight of 221.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylcyclohexyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine is sourced from PubChem (CID 103884007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).