N-ethyl-1-(4-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine

C16H29N3 — CID 103009722

IUPACN-ethyl-1-(4-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCCNC(CCc1ccnn1C)C1CCC(C)CC1
InChIInChI=1S/C16H29N3/c1-4-17-16(14-7-5-13(2)6-8-14)10-9-15-11-12-18-19(15)3/h11-14,16-17H,4-10H2,1-3H3
InChIKeyWFZDWZXMMNVSTR-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.16
Rot. Bonds6

About N-ethyl-1-(4-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine

N-ethyl-1-(4-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine (PubChem CID 103009722) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-ethyl-1-(4-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
PubChem CID103009722
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-ethyl-1-(4-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCCNC(CCc1ccnn1C)C1CCC(C)CC1
InChIInChI=1S/C16H29N3/c1-4-17-16(14-7-5-13(2)6-8-14)10-9-15-11-12-18-19(15)3/h11-14,16-17H,4-10H2,1-3H3
InChIKeyWFZDWZXMMNVSTR-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

1-cyclobutyl-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103010387
1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine
CID 115769814
1-(7-bicyclo[4.1.0]heptanyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030487
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103012109
N-ethyl-3-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)propan-1-amine
CID 103030505
1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030501
1-cyclopropyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 104695065
1-(4-tert-butylcyclohexyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103010665
N-ethyl-4-(2-methylpyrazol-3-yl)-1-methylsulfanylbutan-2-amine
CID 103009884
N-ethyl-3-(4-methoxyphenyl)-1-(4-methylcyclohexyl)propan-1-amine
CID 65445898
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030479
1-cyclohexyl-N-ethyl-1-methoxy-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103012610

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The IUPAC name of N-ethyl-1-(4-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine (CID 103009722) is N-ethyl-1-(4-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for N-ethyl-1-(4-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine is CCNC(CCc1ccnn1C)C1CCC(C)CC1.
What is the InChIKey of N-ethyl-1-(4-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The InChIKey is WFZDWZXMMNVSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-4-17-16(14-7-5-13(2)6-8-14)10-9-15-11-12-18-19(15)3/h11-14,16-17H,4-10H2,1-3H3.
What are the key properties of N-ethyl-1-(4-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
N-ethyl-1-(4-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine 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-ethyl-1-(4-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 103009722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).