N-[2-(3-methylcyclohexyl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine

C15H27N3 — CID 106757829

IUPACN-[2-(3-methylcyclohexyl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCC1CCCC(CCNC(C)c2ccnn2C)C1
InChIInChI=1S/C15H27N3/c1-12-5-4-6-14(11-12)7-9-16-13(2)15-8-10-17-18(15)3/h8,10,12-14,16H,4-7,9,11H2,1-3H3
InChIKeyMFMYPKYOVMBDNT-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.29
Rot. Bonds5

About N-[2-(3-methylcyclohexyl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine

N-[2-(3-methylcyclohexyl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine (PubChem CID 106757829) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[2-(3-methylcyclohexyl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(3-methylcyclohexyl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine
PubChem CID106757829
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[2-(3-methylcyclohexyl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCC1CCCC(CCNC(C)c2ccnn2C)C1
InChIInChI=1S/C15H27N3/c1-12-5-4-6-14(11-12)7-9-16-13(2)15-8-10-17-18(15)3/h8,10,12-14,16H,4-7,9,11H2,1-3H3
InChIKeyMFMYPKYOVMBDNT-UHFFFAOYSA-N
XLogP3.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 106758148
N-(cyclohexylmethyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 106757054
N-[(3-methylcyclohexyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 63963526
3-(4-methylpiperidin-1-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106756979
N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
CID 66657947
2,4-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 106757824
4-methyl-1-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]cyclohexan-1-ol
CID 106757864
2-[1-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 106757076
1,1-difluoro-N-[2-(3-methylcyclohexyl)ethyl]propan-2-amine
CID 102869604
2-ethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106758131
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 107093870
N-[(1-ethylcyclopentyl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 107093788

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylcyclohexyl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine?
The IUPAC name of N-[2-(3-methylcyclohexyl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine (CID 106757829) is N-[2-(3-methylcyclohexyl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-[2-(3-methylcyclohexyl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-[2-(3-methylcyclohexyl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine is CC1CCCC(CCNC(C)c2ccnn2C)C1.
What is the InChIKey of N-[2-(3-methylcyclohexyl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine?
The InChIKey is MFMYPKYOVMBDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-12-5-4-6-14(11-12)7-9-16-13(2)15-8-10-17-18(15)3/h8,10,12-14,16H,4-7,9,11H2,1-3H3.
What are the key properties of N-[2-(3-methylcyclohexyl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine?
N-[2-(3-methylcyclohexyl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine has a molecular weight of 249.40 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylcyclohexyl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 106757829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).