N-butyl-N-(3-methoxypropyl)cyclohexanecarboxamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine

C23H45N5O2 — CID 145047818

IUPACN-butyl-N-(3-methoxypropyl)cyclohexanecarboxamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine
SMILESCCCCN(CCCOC)C(=O)C1CCCCC1.CNCCN(C)Cc1cn[nH]c1
InChIInChI=1S/C15H29NO2.C8H16N4/c1-3-4-11-16(12-8-13-18-2)15(17)14-9-6-5-7-10-14;1-9-3-4-12(2)7-8-5-10-11-6-8/h14H,3-13H2,1-2H3;5-6,9H,3-4,7H2,1-2H3,(H,10,11)
InChIKeyOUDPUPPMFXFSLE-UHFFFAOYSA-N
MW423.65 g/mol
LogP3.29
Rot. Bonds13

About N-butyl-N-(3-methoxypropyl)cyclohexanecarboxamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine

N-butyl-N-(3-methoxypropyl)cyclohexanecarboxamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine (PubChem CID 145047818) has the molecular formula C23H45N5O2 and a molecular weight of 423.65 g/mol. Its IUPAC name is N-butyl-N-(3-methoxypropyl)cyclohexanecarboxamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-butyl-N-(3-methoxypropyl)cyclohexanecarboxamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine
PubChem CID145047818
Molecular FormulaC23H45N5O2
Molecular Weight423.65 g/mol
Exact Mass423.36
IUPAC NameN-butyl-N-(3-methoxypropyl)cyclohexanecarboxamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine
SMILESCCCCN(CCCOC)C(=O)C1CCCCC1.CNCCN(C)Cc1cn[nH]c1
InChIInChI=1S/C15H29NO2.C8H16N4/c1-3-4-11-16(12-8-13-18-2)15(17)14-9-6-5-7-10-14;1-9-3-4-12(2)7-8-5-10-11-6-8/h14H,3-13H2,1-2H3;5-6,9H,3-4,7H2,1-2H3,(H,10,11)
InChIKeyOUDPUPPMFXFSLE-UHFFFAOYSA-N
XLogP3.29
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.65
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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)-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
3,3-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide
CID 114226467
4-tert-butyl-4-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide
CID 130233484
4-ethyl-4-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide
CID 130238513
4-tert-butyl-4-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide
CID 130277185
4,4-dimethyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide;ethane
CID 144881827
4,4-dimethyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide;ethane
CID 144881835

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(3-methoxypropyl)cyclohexanecarboxamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-butyl-N-(3-methoxypropyl)cyclohexanecarboxamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine (CID 145047818) is N-butyl-N-(3-methoxypropyl)cyclohexanecarboxamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-butyl-N-(3-methoxypropyl)cyclohexanecarboxamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-butyl-N-(3-methoxypropyl)cyclohexanecarboxamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine is CCCCN(CCCOC)C(=O)C1CCCCC1.CNCCN(C)Cc1cn[nH]c1.
What is the InChIKey of N-butyl-N-(3-methoxypropyl)cyclohexanecarboxamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine?
The InChIKey is OUDPUPPMFXFSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2.C8H16N4/c1-3-4-11-16(12-8-13-18-2)15(17)14-9-6-5-7-10-14;1-9-3-4-12(2)7-8-5-10-11-6-8/h14H,3-13H2,1-2H3;5-6,9H,3-4,7H2,1-2H3,(H,10,11).
What are the key properties of N-butyl-N-(3-methoxypropyl)cyclohexanecarboxamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine?
N-butyl-N-(3-methoxypropyl)cyclohexanecarboxamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine has a molecular weight of 423.65 g/mol, XLogP of 3.29, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(3-methoxypropyl)cyclohexanecarboxamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 145047818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).