4-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide

C16H25N3O — CID 60849621

IUPAC4-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide
SMILESCN(C)Cc1ccc(NC(=O)C2CCC(N)CC2)cc1
InChIInChI=1S/C16H25N3O/c1-19(2)11-12-3-9-15(10-4-12)18-16(20)13-5-7-14(17)8-6-13/h3-4,9-10,13-14H,5-8,11,17H2,1-2H3,(H,18,20)
InChIKeyFSZXRDLSXZMFIW-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.20
Rot. Bonds4

About 4-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide

4-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide (PubChem CID 60849621) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide
PubChem CID60849621
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide
SMILESCN(C)Cc1ccc(NC(=O)C2CCC(N)CC2)cc1
InChIInChI=1S/C16H25N3O/c1-19(2)11-12-3-9-15(10-4-12)18-16(20)13-5-7-14(17)8-6-13/h3-4,9-10,13-14H,5-8,11,17H2,1-2H3,(H,18,20)
InChIKeyFSZXRDLSXZMFIW-UHFFFAOYSA-N
XLogP2.20
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide
CID 63041991
4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide
CID 60847300
4-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide
CID 60847830
N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-3-aminocyclopentane-1-carboxamide
CID 119792447
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119719008
4-amino-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide
CID 60847909
4-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 54928395
3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopentane-1-carboxamide
CID 119895255
2-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54868227
N-[(4-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide
CID 31987516
4-amino-N-(4-nitrophenyl)cyclohexane-1-carboxamide
CID 60848648
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide (CID 60849621) is 4-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide is CN(C)Cc1ccc(NC(=O)C2CCC(N)CC2)cc1.
What is the InChIKey of 4-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide?
The InChIKey is FSZXRDLSXZMFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-19(2)11-12-3-9-15(10-4-12)18-16(20)13-5-7-14(17)8-6-13/h3-4,9-10,13-14H,5-8,11,17H2,1-2H3,(H,18,20).
What are the key properties of 4-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide?
4-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 60849621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).