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

C15H23N3O — CID 64823317

IUPAC2-amino-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
SMILESCN(C)c1ccc(NC(=O)C2CCCCC2N)cc1
InChIInChI=1S/C15H23N3O/c1-18(2)12-9-7-11(8-10-12)17-15(19)13-5-3-4-6-14(13)16/h7-10,13-14H,3-6,16H2,1-2H3,(H,17,19)
InChIKeyAHBCNSIRGCQKDZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.21
Rot. Bonds3

About 2-amino-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide

2-amino-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide (PubChem CID 64823317) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-amino-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
PubChem CID64823317
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-amino-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
SMILESCN(C)c1ccc(NC(=O)C2CCCCC2N)cc1
InChIInChI=1S/C15H23N3O/c1-18(2)12-9-7-11(8-10-12)17-15(19)13-5-3-4-6-14(13)16/h7-10,13-14H,3-6,16H2,1-2H3,(H,17,19)
InChIKeyAHBCNSIRGCQKDZ-UHFFFAOYSA-N
XLogP2.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[4-(dimethylamino)phenyl]cyclopentane-1-carboxamide
CID 64823318
2-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide
CID 64823135
cis-(1S,2R)-2-[[4-(dimethylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 41097683
2-amino-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 12512511
2-amino-N-[3-(dimethylamino)phenyl]cycloheptane-1-carboxamide
CID 115377162
2-amino-N-(4-bromophenyl)cyclohexane-1-carboxamide
CID 64816780
trans-(1R,2R)-2-amino-N-phenylcyclohexane-1-carboxamide
CID 10889384
2-amino-N-[6-(dimethylamino)-3-pyridinyl]cyclohexane-1-carboxamide
CID 64822752
2-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 64816977
1-N,2-N-bis[4-(dimethylamino)phenyl]cyclopropane-1,2-dicarboxamide
CID 109143918
2-amino-N-(4-hydroxyphenyl)cyclopentane-1-carboxamide
CID 64825119
N-[4-(dimethylamino)phenyl]-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-carboxamide
CID 108786884

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide (CID 64823317) is 2-amino-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide is CN(C)c1ccc(NC(=O)C2CCCCC2N)cc1.
What is the InChIKey of 2-amino-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide?
The InChIKey is AHBCNSIRGCQKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18(2)12-9-7-11(8-10-12)17-15(19)13-5-3-4-6-14(13)16/h7-10,13-14H,3-6,16H2,1-2H3,(H,17,19).
What are the key properties of 2-amino-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide?
2-amino-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 64823317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).