N-(2,2-dimethylpropyl)-4-(methylamino)cyclohexane-1-carboxamide

C13H26N2O — CID 115150663

IUPACN-(2,2-dimethylpropyl)-4-(methylamino)cyclohexane-1-carboxamide
SMILESCNC1CCC(C(=O)NCC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O/c1-13(2,3)9-15-12(16)10-5-7-11(14-4)8-6-10/h10-11,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyFNTXVWHKCMKMDK-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.93
Rot. Bonds3

About N-(2,2-dimethylpropyl)-4-(methylamino)cyclohexane-1-carboxamide

N-(2,2-dimethylpropyl)-4-(methylamino)cyclohexane-1-carboxamide (PubChem CID 115150663) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4-(methylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-4-(methylamino)cyclohexane-1-carboxamide
PubChem CID115150663
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(2,2-dimethylpropyl)-4-(methylamino)cyclohexane-1-carboxamide
SMILESCNC1CCC(C(=O)NCC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O/c1-13(2,3)9-15-12(16)10-5-7-11(14-4)8-6-10/h10-11,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyFNTXVWHKCMKMDK-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(methylamino)-N-(2-oxopropyl)cyclohexane-1-carboxamide
CID 122579173
N-(2-fluoro-2-methylbutyl)cyclopropanecarboxamide
CID 123444332
N-(2,2-dimethylpropyl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide;ethane
CID 145240187
4-(cyclopropanecarbonylamino)-N-(2,2-dimethylpropyl)piperidine-1-carboxamide
CID 110822547
cis-(1R,3S)-3-(2,2-dimethylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319362
N-[3-(ethylamino)-2,2-dimethyl-3-oxopropyl]cyclopropanecarboxamide
CID 71845564
N-(2-hydroxy-2-methylpropyl)cyclohexanecarboxamide
CID 65109688
N-(4,4-dimethylpentyl)cyclopropanecarboxamide
CID 110421021
4-[(2-methoxy-2-methylpropyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 104764733
N-(2-hydroxy-2-propylpentyl)cyclopropanecarboxamide
CID 111444767
N-[2-(furan-2-yl)-2-hydroxypropyl]cyclopropanecarboxamide
CID 71782530
N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)cyclopropanecarboxamide
CID 71787256

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-4-(methylamino)cyclohexane-1-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-4-(methylamino)cyclohexane-1-carboxamide (CID 115150663) is N-(2,2-dimethylpropyl)-4-(methylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-4-(methylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-4-(methylamino)cyclohexane-1-carboxamide is CNC1CCC(C(=O)NCC(C)(C)C)CC1.
What is the InChIKey of N-(2,2-dimethylpropyl)-4-(methylamino)cyclohexane-1-carboxamide?
The InChIKey is FNTXVWHKCMKMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(2,3)9-15-12(16)10-5-7-11(14-4)8-6-10/h10-11,14H,5-9H2,1-4H3,(H,15,16).
What are the key properties of N-(2,2-dimethylpropyl)-4-(methylamino)cyclohexane-1-carboxamide?
N-(2,2-dimethylpropyl)-4-(methylamino)cyclohexane-1-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-4-(methylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 115150663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).