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

C15H27N3 — CID 103009708

IUPACN-methyl-1-(3-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCNC(CCc1cnn(C)c1)C1CCCC(C)C1
InChIInChI=1S/C15H27N3/c1-12-5-4-6-14(9-12)15(16-2)8-7-13-10-17-18(3)11-13/h10-12,14-16H,4-9H2,1-3H3
InChIKeyMDVKVCMKWDFSTQ-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.77
Rot. Bonds5

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

N-methyl-1-(3-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 103009708) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-methyl-1-(3-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(3-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID103009708
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-methyl-1-(3-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCNC(CCc1cnn(C)c1)C1CCCC(C)C1
InChIInChI=1S/C15H27N3/c1-12-5-4-6-14(9-12)15(16-2)8-7-13-10-17-18(3)11-13/h10-12,14-16H,4-9H2,1-3H3
InChIKeyMDVKVCMKWDFSTQ-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
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-[3-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 103029967
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-3-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)propan-1-amine
CID 103010653
[1-cycloheptyl-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103025788
N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 103030167
1-(1,1-dioxothiolan-3-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011871
1-(3-ethylcyclohexyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103010677
1-cyclooctyl-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 80602955
2-cyclopentyl-4-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine
CID 103014821
N,N,4-trimethyl-1-[1-(methylamino)-3-(1-methylpyrazol-4-yl)propyl]cyclohexan-1-amine
CID 103011177
1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 107193091

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of N-methyl-1-(3-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-amine (CID 103009708) is N-methyl-1-(3-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for N-methyl-1-(3-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for N-methyl-1-(3-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-amine is CNC(CCc1cnn(C)c1)C1CCCC(C)C1.
What is the InChIKey of N-methyl-1-(3-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is MDVKVCMKWDFSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-12-5-4-6-14(9-12)15(16-2)8-7-13-10-17-18(3)11-13/h10-12,14-16H,4-9H2,1-3H3.
What are the key properties of N-methyl-1-(3-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
N-methyl-1-(3-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 103009708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).