3-amino-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide

C22H35N3O — CID 119861630

IUPAC3-amino-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide
SMILESCN(Cc1ccccc1CNC(=O)C1CCCC(N)C1)C1CCCCC1
InChIInChI=1S/C22H35N3O/c1-25(21-12-3-2-4-13-21)16-19-9-6-5-8-18(19)15-24-22(26)17-10-7-11-20(23)14-17/h5-6,8-9,17,20-21H,2-4,7,10-16,23H2,1H3,(H,24,26)
InChIKeyKFLUTOUMTNYDQN-UHFFFAOYSA-N
MW357.54 g/mol
LogP3.58
Rot. Bonds6

About 3-amino-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide

3-amino-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide (PubChem CID 119861630) has the molecular formula C22H35N3O and a molecular weight of 357.54 g/mol. Its IUPAC name is 3-amino-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide
PubChem CID119861630
Molecular FormulaC22H35N3O
Molecular Weight357.54 g/mol
Exact Mass357.28
IUPAC Name3-amino-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide
SMILESCN(Cc1ccccc1CNC(=O)C1CCCC(N)C1)C1CCCCC1
InChIInChI=1S/C22H35N3O/c1-25(21-12-3-2-4-13-21)16-19-9-6-5-8-18(19)15-24-22(26)17-10-7-11-20(23)14-17/h5-6,8-9,17,20-21H,2-4,7,10-16,23H2,1H3,(H,24,26)
InChIKeyKFLUTOUMTNYDQN-UHFFFAOYSA-N
XLogP3.58
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]cyclopentane-1-carboxamide
CID 66010662
3-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119836070
3-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119836069
3-amino-N-[(2-ethylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119798267
3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119705497
N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 119861656
trans-(1R,3R)-3-amino-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 124689832
3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride
CID 119669914
3-(2-aminophenyl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]propanamide
CID 120612656
3-amino-N-[[2-(2-methylpropoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119739863
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119861643
3-amino-N-(quinolin-8-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride
CID 119868760

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide (CID 119861630) is 3-amino-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide is CN(Cc1ccccc1CNC(=O)C1CCCC(N)C1)C1CCCCC1.
What is the InChIKey of 3-amino-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is KFLUTOUMTNYDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O/c1-25(21-12-3-2-4-13-21)16-19-9-6-5-8-18(19)15-24-22(26)17-10-7-11-20(23)14-17/h5-6,8-9,17,20-21H,2-4,7,10-16,23H2,1H3,(H,24,26).
What are the key properties of 3-amino-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide?
3-amino-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 357.54 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119861630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).