N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)propan-1-amine

C17H31N3 — CID 103010653

IUPACN-methyl-3-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)propan-1-amine
SMILESCNC(CCc1cnn(C)c1)C1CCC(C(C)C)CC1
InChIInChI=1S/C17H31N3/c1-13(2)15-6-8-16(9-7-15)17(18-3)10-5-14-11-19-20(4)12-14/h11-13,15-18H,5-10H2,1-4H3
InChIKeyNPGIEAXTLLPAII-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.40
Rot. Bonds6

About N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)propan-1-amine

N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)propan-1-amine (PubChem CID 103010653) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)propan-1-amine
PubChem CID103010653
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-methyl-3-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)propan-1-amine
SMILESCNC(CCc1cnn(C)c1)C1CCC(C(C)C)CC1
InChIInChI=1S/C17H31N3/c1-13(2)15-6-8-16(9-7-15)17(18-3)10-5-14-11-19-20(4)12-14/h11-13,15-18H,5-10H2,1-4H3
InChIKeyNPGIEAXTLLPAII-UHFFFAOYSA-N
XLogP3.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 63354994
N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 103030167
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029639
N-methyl-1-(3-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103009708
1-(1,1-dioxothiolan-3-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011871
[1-cycloheptyl-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103025788
N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 62125869
N-methyl-3-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 103029967
1-cyclooctyl-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 80602955
4-(3-bromo-3-cyclopropylpropyl)-1-methylpyrazole
CID 63358314
1-(1,4-dimethylpiperazin-2-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011331
1-(4-ethylcyclohexyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 65393940

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)propan-1-amine?
The IUPAC name of N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)propan-1-amine (CID 103010653) is N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)propan-1-amine?
The canonical SMILES for N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)propan-1-amine is CNC(CCc1cnn(C)c1)C1CCC(C(C)C)CC1.
What is the InChIKey of N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)propan-1-amine?
The InChIKey is NPGIEAXTLLPAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-13(2)15-6-8-16(9-7-15)17(18-3)10-5-14-11-19-20(4)12-14/h11-13,15-18H,5-10H2,1-4H3.
What are the key properties of N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)propan-1-amine?
N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)propan-1-amine has a molecular weight of 277.46 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)propan-1-amine is sourced from PubChem (CID 103010653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).