N-[[1-(aminomethyl)cyclopropyl]methyl]-2,2-dimethylcyclohexane-1-carboxamide

C14H26N2O — CID 107184694

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-2,2-dimethylcyclohexane-1-carboxamide
SMILESCC1(C)CCCCC1C(=O)NCC1(CN)CC1
InChIInChI=1S/C14H26N2O/c1-13(2)6-4-3-5-11(13)12(17)16-10-14(9-15)7-8-14/h11H,3-10,15H2,1-2H3,(H,16,17)
InChIKeyYMFOAEHQYZYUFF-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.06
Rot. Bonds4

About N-[[1-(aminomethyl)cyclopropyl]methyl]-2,2-dimethylcyclohexane-1-carboxamide

N-[[1-(aminomethyl)cyclopropyl]methyl]-2,2-dimethylcyclohexane-1-carboxamide (PubChem CID 107184694) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-2,2-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2,2-dimethylcyclohexane-1-carboxamide
PubChem CID107184694
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2,2-dimethylcyclohexane-1-carboxamide
SMILESCC1(C)CCCCC1C(=O)NCC1(CN)CC1
InChIInChI=1S/C14H26N2O/c1-13(2)6-4-3-5-11(13)12(17)16-10-14(9-15)7-8-14/h11H,3-10,15H2,1-2H3,(H,16,17)
InChIKeyYMFOAEHQYZYUFF-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107184438
N-[[1-(aminomethyl)cyclopentyl]methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 113295138
N-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107184226
2,2-dimethyl-N-(2-oxopropyl)cyclohexane-1-carboxamide
CID 107178834
N-(4-amino-2,2-dimethylbutyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 114148900
2,2-dimethyl-N-(2-sulfamoylethyl)cyclohexane-1-carboxamide
CID 107182865
N-hydroxy-2,2-dimethylcyclohexane-1-carboxamide
CID 87324456
N-(3-chloropropyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107179984
N-(3-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180369
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107176150
N-[[2-(bromomethyl)cyclohexyl]methyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107184222
[1-(aminomethyl)cyclopropyl]methylcarbamic acid
CID 89477777

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2,2-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2,2-dimethylcyclohexane-1-carboxamide (CID 107184694) is N-[[1-(aminomethyl)cyclopropyl]methyl]-2,2-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-2,2-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-2,2-dimethylcyclohexane-1-carboxamide is CC1(C)CCCCC1C(=O)NCC1(CN)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-2,2-dimethylcyclohexane-1-carboxamide?
The InChIKey is YMFOAEHQYZYUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-13(2)6-4-3-5-11(13)12(17)16-10-14(9-15)7-8-14/h11H,3-10,15H2,1-2H3,(H,16,17).
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-2,2-dimethylcyclohexane-1-carboxamide?
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,2-dimethylcyclohexane-1-carboxamide has a molecular weight of 238.37 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-2,2-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 107184694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).