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

C16H25N3O — CID 63041991

IUPAC3-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide
SMILESCN(C)Cc1ccc(NC(=O)C2CCCC(N)C2)cc1
InChIInChI=1S/C16H25N3O/c1-19(2)11-12-6-8-15(9-7-12)18-16(20)13-4-3-5-14(17)10-13/h6-9,13-14H,3-5,10-11,17H2,1-2H3,(H,18,20)
InChIKeyWJLSVOBDQAXWOK-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.20
Rot. Bonds4

About 3-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide

3-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide (PubChem CID 63041991) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide
PubChem CID63041991
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide
SMILESCN(C)Cc1ccc(NC(=O)C2CCCC(N)C2)cc1
InChIInChI=1S/C16H25N3O/c1-19(2)11-12-6-8-15(9-7-12)18-16(20)13-4-3-5-14(17)10-13/h6-9,13-14H,3-5,10-11,17H2,1-2H3,(H,18,20)
InChIKeyWJLSVOBDQAXWOK-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

4-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide
CID 60849621
3-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide
CID 63043789
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
2-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]acetic acid
CID 63045402
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136
3-amino-N-[4-(propanoylamino)phenyl]cyclohexane-1-carboxamide
CID 63044136
3-amino-N-[4-[(carbamoylamino)methyl]phenyl]cyclohexane-1-carboxamide
CID 119757601
N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-3-aminocyclopentane-1-carboxamide
CID 119792447
3-amino-N-[4-(phenylmethoxymethyl)phenyl]cyclohexane-1-carboxamide
CID 119794511
3-amino-N-[4-(ethylsulfonylamino)phenyl]cyclohexane-1-carboxamide
CID 119711119
3-amino-N-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 63042501
3-amino-N-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
CID 63044303

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide (CID 63041991) is 3-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide is CN(C)Cc1ccc(NC(=O)C2CCCC(N)C2)cc1.
What is the InChIKey of 3-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide?
The InChIKey is WJLSVOBDQAXWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-19(2)11-12-6-8-15(9-7-12)18-16(20)13-4-3-5-14(17)10-13/h6-9,13-14H,3-5,10-11,17H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide?
3-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 3-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 63041991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).