2-amino-N-[3-(dimethylamino)phenyl]cycloheptane-1-carboxamide

C16H25N3O — CID 115377162

IUPAC2-amino-N-[3-(dimethylamino)phenyl]cycloheptane-1-carboxamide
SMILESCN(C)c1cccc(NC(=O)C2CCCCCC2N)c1
InChIInChI=1S/C16H25N3O/c1-19(2)13-8-6-7-12(11-13)18-16(20)14-9-4-3-5-10-15(14)17/h6-8,11,14-15H,3-5,9-10,17H2,1-2H3,(H,18,20)
InChIKeyQJQPSSOUHYNJHA-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.60
Rot. Bonds3

About 2-amino-N-[3-(dimethylamino)phenyl]cycloheptane-1-carboxamide

2-amino-N-[3-(dimethylamino)phenyl]cycloheptane-1-carboxamide (PubChem CID 115377162) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-amino-N-[3-(dimethylamino)phenyl]cycloheptane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3-(dimethylamino)phenyl]cycloheptane-1-carboxamide
PubChem CID115377162
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-amino-N-[3-(dimethylamino)phenyl]cycloheptane-1-carboxamide
SMILESCN(C)c1cccc(NC(=O)C2CCCCCC2N)c1
InChIInChI=1S/C16H25N3O/c1-19(2)13-8-6-7-12(11-13)18-16(20)14-9-4-3-5-10-15(14)17/h6-8,11,14-15H,3-5,9-10,17H2,1-2H3,(H,18,20)
InChIKeyQJQPSSOUHYNJHA-UHFFFAOYSA-N
XLogP2.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 64823317
2-amino-N-[4-(dimethylamino)phenyl]cyclopentane-1-carboxamide
CID 64823318
N-[3-(dimethylamino)phenyl]-2-methylpiperidine-3-carboxamide
CID 115377873
trans-(1R,2R)-2-amino-N-phenylcyclohexane-1-carboxamide
CID 10889384
2-amino-N-[3-(carbamoylamino)phenyl]cyclopentane-1-carboxamide
CID 64822966
methyl 3-[(2-aminocyclohexanecarbonyl)amino]benzoate
CID 64823451
2-amino-N-(3-propoxyphenyl)cyclohexane-1-carboxamide
CID 64822364
2-amino-N-naphthalen-2-ylcyclohexane-1-carboxamide
CID 64823330
(2S)-N-[3-(dimethylamino)phenyl]pyrrolidine-2-carboxamide
CID 113297589
2-amino-N-[3-(trifluoromethylsulfonyl)phenyl]cyclohexane-1-carboxamide
CID 163395369
2-amino-N-[3-(diethylaminomethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119852810
2-amino-N-[3-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide
CID 64824744

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(dimethylamino)phenyl]cycloheptane-1-carboxamide?
The IUPAC name of 2-amino-N-[3-(dimethylamino)phenyl]cycloheptane-1-carboxamide (CID 115377162) is 2-amino-N-[3-(dimethylamino)phenyl]cycloheptane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[3-(dimethylamino)phenyl]cycloheptane-1-carboxamide?
The canonical SMILES for 2-amino-N-[3-(dimethylamino)phenyl]cycloheptane-1-carboxamide is CN(C)c1cccc(NC(=O)C2CCCCCC2N)c1.
What is the InChIKey of 2-amino-N-[3-(dimethylamino)phenyl]cycloheptane-1-carboxamide?
The InChIKey is QJQPSSOUHYNJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-19(2)13-8-6-7-12(11-13)18-16(20)14-9-4-3-5-10-15(14)17/h6-8,11,14-15H,3-5,9-10,17H2,1-2H3,(H,18,20).
What are the key properties of 2-amino-N-[3-(dimethylamino)phenyl]cycloheptane-1-carboxamide?
2-amino-N-[3-(dimethylamino)phenyl]cycloheptane-1-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(dimethylamino)phenyl]cycloheptane-1-carboxamide is sourced from PubChem (CID 115377162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).