N-(cyclohexylmethyl)-N-(2-methylpropyl)acetamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine

C21H41N5O — CID 145047779

IUPACN-(cyclohexylmethyl)-N-(2-methylpropyl)acetamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine
SMILESCC(=O)N(CC(C)C)CC1CCCCC1.CNCCN(C)Cc1cn[nH]c1
InChIInChI=1S/C13H25NO.C8H16N4/c1-11(2)9-14(12(3)15)10-13-7-5-4-6-8-13;1-9-3-4-12(2)7-8-5-10-11-6-8/h11,13H,4-10H2,1-3H3;5-6,9H,3-4,7H2,1-2H3,(H,10,11)
InChIKeyYYGQYUWIZNVMTG-UHFFFAOYSA-N
MW379.59 g/mol
LogP3.13
Rot. Bonds9

About N-(cyclohexylmethyl)-N-(2-methylpropyl)acetamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine

N-(cyclohexylmethyl)-N-(2-methylpropyl)acetamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine (PubChem CID 145047779) has the molecular formula C21H41N5O and a molecular weight of 379.59 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-(2-methylpropyl)acetamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-(2-methylpropyl)acetamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine
PubChem CID145047779
Molecular FormulaC21H41N5O
Molecular Weight379.59 g/mol
Exact Mass379.33
IUPAC NameN-(cyclohexylmethyl)-N-(2-methylpropyl)acetamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine
SMILESCC(=O)N(CC(C)C)CC1CCCCC1.CNCCN(C)Cc1cn[nH]c1
InChIInChI=1S/C13H25NO.C8H16N4/c1-11(2)9-14(12(3)15)10-13-7-5-4-6-8-13;1-9-3-4-12(2)7-8-5-10-11-6-8/h11,13H,4-10H2,1-3H3;5-6,9H,3-4,7H2,1-2H3,(H,10,11)
InChIKeyYYGQYUWIZNVMTG-UHFFFAOYSA-N
XLogP3.13
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.59
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(cyclohexylmethyl)-N-(2-methylpropyl)acetamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-{[1-(dimethylamino)cyclohexyl]methyl}-1H-pyrazole-4-carboxamide
CID 61249302
N-[(2R)-3-cyclobutyl-1-oxo-1-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]propan-2-yl]acetamide
CID 136586537
N-(cyclohexylmethyl)-1H-pyrazole-4-carboxamide
CID 6734414
4,4-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide
CID 81932796
3,3-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide
CID 114226467
N-(4-methylcyclohexyl)-1H-pyrazole-4-carboxamide
CID 43532977
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
N-ethyl-N-(2-methylpropyl)cyclohexanecarboxamide;N-methyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine
CID 145047723

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-(2-methylpropyl)acetamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-(cyclohexylmethyl)-N-(2-methylpropyl)acetamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine (CID 145047779) is N-(cyclohexylmethyl)-N-(2-methylpropyl)acetamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-(cyclohexylmethyl)-N-(2-methylpropyl)acetamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-(cyclohexylmethyl)-N-(2-methylpropyl)acetamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine is CC(=O)N(CC(C)C)CC1CCCCC1.CNCCN(C)Cc1cn[nH]c1.
What is the InChIKey of N-(cyclohexylmethyl)-N-(2-methylpropyl)acetamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine?
The InChIKey is YYGQYUWIZNVMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO.C8H16N4/c1-11(2)9-14(12(3)15)10-13-7-5-4-6-8-13;1-9-3-4-12(2)7-8-5-10-11-6-8/h11,13H,4-10H2,1-3H3;5-6,9H,3-4,7H2,1-2H3,(H,10,11).
What are the key properties of N-(cyclohexylmethyl)-N-(2-methylpropyl)acetamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine?
N-(cyclohexylmethyl)-N-(2-methylpropyl)acetamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine has a molecular weight of 379.59 g/mol, XLogP of 3.13, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-(2-methylpropyl)acetamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 145047779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).