dimethyl-[1-[[(1-phenylcyclopropanecarbonyl)amino]methyl]cyclohexyl]azanium

C19H29N2O+ — CID 2518064

IUPACdimethyl-[1-[[(1-phenylcyclopropanecarbonyl)amino]methyl]cyclohexyl]azanium
SMILESC[NH+](C)C1(CNC(=O)C2(c3ccccc3)CC2)CCCCC1
InChIInChI=1S/C19H28N2O/c1-21(2)18(11-7-4-8-12-18)15-20-17(22)19(13-14-19)16-9-5-3-6-10-16/h3,5-6,9-10H,4,7-8,11-15H2,1-2H3,(H,20,22)/p+1
InChIKeyAZHDKKXODIEQKR-UHFFFAOYSA-O
MW301.45 g/mol
LogP1.68
Rot. Bonds5

About dimethyl-[1-[[(1-phenylcyclopropanecarbonyl)amino]methyl]cyclohexyl]azanium

dimethyl-[1-[[(1-phenylcyclopropanecarbonyl)amino]methyl]cyclohexyl]azanium (PubChem CID 2518064) has the molecular formula C19H29N2O+ and a molecular weight of 301.45 g/mol. Its IUPAC name is dimethyl-[1-[[(1-phenylcyclopropanecarbonyl)amino]methyl]cyclohexyl]azanium.

Molecular Properties

Compound Namedimethyl-[1-[[(1-phenylcyclopropanecarbonyl)amino]methyl]cyclohexyl]azanium
PubChem CID2518064
Molecular FormulaC19H29N2O+
Molecular Weight301.45 g/mol
Exact Mass301.23
IUPAC Namedimethyl-[1-[[(1-phenylcyclopropanecarbonyl)amino]methyl]cyclohexyl]azanium
SMILESC[NH+](C)C1(CNC(=O)C2(c3ccccc3)CC2)CCCCC1
InChIInChI=1S/C19H28N2O/c1-21(2)18(11-7-4-8-12-18)15-20-17(22)19(13-14-19)16-9-5-3-6-10-16/h3,5-6,9-10H,4,7-8,11-15H2,1-2H3,(H,20,22)/p+1
InChIKeyAZHDKKXODIEQKR-UHFFFAOYSA-O
XLogP1.68
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(aminomethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 103970193
[1-[(benzoylcarbamoylamino)methyl]cyclohexyl]-dimethylazanium
CID 7831379
N-[(1-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide
CID 64865922
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
N-[[1-(bromomethyl)cyclopropyl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 113313525
N-(2,2-dimethylpropyl)-1-phenylcyclohexane-1-carboxamide
CID 110474016
1-phenyl-N-prop-2-ynylcyclopentane-1-carboxamide
CID 3502892
1-[[(4-phenyloxane-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544882
N-(methoxymethyl)-1-phenylcyclopropane-1-carboxamide
CID 50941599
N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 126790169
N-[1-(hydroxymethyl)cyclohexyl]-1-phenylcyclopropane-1-carboxamide
CID 62521476
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 65123865

Frequently Asked Questions

What is the IUPAC name of dimethyl-[1-[[(1-phenylcyclopropanecarbonyl)amino]methyl]cyclohexyl]azanium?
The IUPAC name of dimethyl-[1-[[(1-phenylcyclopropanecarbonyl)amino]methyl]cyclohexyl]azanium (CID 2518064) is dimethyl-[1-[[(1-phenylcyclopropanecarbonyl)amino]methyl]cyclohexyl]azanium.
What is the SMILES notation for dimethyl-[1-[[(1-phenylcyclopropanecarbonyl)amino]methyl]cyclohexyl]azanium?
The canonical SMILES for dimethyl-[1-[[(1-phenylcyclopropanecarbonyl)amino]methyl]cyclohexyl]azanium is C[NH+](C)C1(CNC(=O)C2(c3ccccc3)CC2)CCCCC1.
What is the InChIKey of dimethyl-[1-[[(1-phenylcyclopropanecarbonyl)amino]methyl]cyclohexyl]azanium?
The InChIKey is AZHDKKXODIEQKR-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H28N2O/c1-21(2)18(11-7-4-8-12-18)15-20-17(22)19(13-14-19)16-9-5-3-6-10-16/h3,5-6,9-10H,4,7-8,11-15H2,1-2H3,(H,20,22)/p+1.
What are the key properties of dimethyl-[1-[[(1-phenylcyclopropanecarbonyl)amino]methyl]cyclohexyl]azanium?
dimethyl-[1-[[(1-phenylcyclopropanecarbonyl)amino]methyl]cyclohexyl]azanium has a molecular weight of 301.45 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[1-[[(1-phenylcyclopropanecarbonyl)amino]methyl]cyclohexyl]azanium is sourced from PubChem (CID 2518064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).