N-ethyl-N-(2-methylpropyl)cyclohexanecarboxamide;N-methyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine

C21H40N4O — CID 145047723

IUPACN-ethyl-N-(2-methylpropyl)cyclohexanecarboxamide;N-methyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine
SMILESCCCN(C)Cc1cn[nH]c1.CCN(CC(C)C)C(=O)C1CCCCC1
InChIInChI=1S/C13H25NO.C8H15N3/c1-4-14(10-11(2)3)13(15)12-8-6-5-7-9-12;1-3-4-11(2)7-8-5-9-10-6-8/h11-12H,4-10H2,1-3H3;5-6H,3-4,7H2,1-2H3,(H,9,10)
InChIKeyBMKXYMUJMODMJU-UHFFFAOYSA-N
MW364.58 g/mol
LogP4.32
Rot. Bonds8

About N-ethyl-N-(2-methylpropyl)cyclohexanecarboxamide;N-methyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine

N-ethyl-N-(2-methylpropyl)cyclohexanecarboxamide;N-methyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine (PubChem CID 145047723) has the molecular formula C21H40N4O and a molecular weight of 364.58 g/mol. Its IUPAC name is N-ethyl-N-(2-methylpropyl)cyclohexanecarboxamide;N-methyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-(2-methylpropyl)cyclohexanecarboxamide;N-methyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine
PubChem CID145047723
Molecular FormulaC21H40N4O
Molecular Weight364.58 g/mol
Exact Mass364.32
IUPAC NameN-ethyl-N-(2-methylpropyl)cyclohexanecarboxamide;N-methyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine
SMILESCCCN(C)Cc1cn[nH]c1.CCN(CC(C)C)C(=O)C1CCCCC1
InChIInChI=1S/C13H25NO.C8H15N3/c1-4-14(10-11(2)3)13(15)12-8-6-5-7-9-12;1-3-4-11(2)7-8-5-9-10-6-8/h11-12H,4-10H2,1-3H3;5-6H,3-4,7H2,1-2H3,(H,9,10)
InChIKeyBMKXYMUJMODMJU-UHFFFAOYSA-N
XLogP4.32
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.58
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide
CID 24790680
N-({trans-4-[(methylamino)carbonyl]cyclohexyl}methyl)-1H-pyrazole-4-carboxamide
CID 77082666
N-[(2R)-3-cyclobutyl-1-oxo-1-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]propan-2-yl]acetamide
CID 136586537
N-methyl-N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78962898
N-methyl-N-(1H-pyrazol-4-ylmethyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932780
4,4-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide
CID 81932796
N-(1H-pyrazol-4-ylmethyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932833
4,4-difluoro-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide
CID 81932854
4,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide
CID 103860811
N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622445
N-[1-(1H-pyrazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106834427
3,3-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide
CID 114226467

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylpropyl)cyclohexanecarboxamide;N-methyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine?
The IUPAC name of N-ethyl-N-(2-methylpropyl)cyclohexanecarboxamide;N-methyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine (CID 145047723) is N-ethyl-N-(2-methylpropyl)cyclohexanecarboxamide;N-methyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine.
What is the SMILES notation for N-ethyl-N-(2-methylpropyl)cyclohexanecarboxamide;N-methyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine?
The canonical SMILES for N-ethyl-N-(2-methylpropyl)cyclohexanecarboxamide;N-methyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine is CCCN(C)Cc1cn[nH]c1.CCN(CC(C)C)C(=O)C1CCCCC1.
What is the InChIKey of N-ethyl-N-(2-methylpropyl)cyclohexanecarboxamide;N-methyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine?
The InChIKey is BMKXYMUJMODMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO.C8H15N3/c1-4-14(10-11(2)3)13(15)12-8-6-5-7-9-12;1-3-4-11(2)7-8-5-9-10-6-8/h11-12H,4-10H2,1-3H3;5-6H,3-4,7H2,1-2H3,(H,9,10).
What are the key properties of N-ethyl-N-(2-methylpropyl)cyclohexanecarboxamide;N-methyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine?
N-ethyl-N-(2-methylpropyl)cyclohexanecarboxamide;N-methyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine has a molecular weight of 364.58 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylpropyl)cyclohexanecarboxamide;N-methyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 145047723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).