3,5-diamino-N-(2-methylcyclohexyl)benzamide

C14H21N3O — CID 61090027

IUPAC3,5-diamino-N-(2-methylcyclohexyl)benzamide
SMILESCC1CCCCC1NC(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C14H21N3O/c1-9-4-2-3-5-13(9)17-14(18)10-6-11(15)8-12(16)7-10/h6-9,13H,2-5,15-16H2,1H3,(H,17,18)
InChIKeyNDUTVOWSNJGONC-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.16
Rot. Bonds2

About 3,5-diamino-N-(2-methylcyclohexyl)benzamide

3,5-diamino-N-(2-methylcyclohexyl)benzamide (PubChem CID 61090027) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3,5-diamino-N-(2-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name3,5-diamino-N-(2-methylcyclohexyl)benzamide
PubChem CID61090027
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3,5-diamino-N-(2-methylcyclohexyl)benzamide
SMILESCC1CCCCC1NC(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C14H21N3O/c1-9-4-2-3-5-13(9)17-14(18)10-6-11(15)8-12(16)7-10/h6-9,13H,2-5,15-16H2,1H3,(H,17,18)
InChIKeyNDUTVOWSNJGONC-UHFFFAOYSA-N
XLogP2.16
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-ethoxy-N-(2-methylcycloheptyl)benzamide
CID 81094286
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
4-amino-3-methyl-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 30117194
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
3,5-diamino-N-cyclooctylbenzamide
CID 61092511
N-[(1S,2R)-2-methylcyclohexyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9272837
2-amino-6-chloro-N-(2-methylcyclopentyl)pyridine-4-carboxamide
CID 63279653
3,5-difluoro-4-methoxy-N-(2-methylcyclohexyl)benzamide
CID 59356103
5-(cyclopentanecarbonylamino)-1-N,3-N-bis(2-methylcyclohexyl)benzene-1,3-dicarboxamide
CID 58903264
4-amino-3-methoxy-N-(2-methylcyclohexyl)benzamide
CID 82070566
4-bromo-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 1234533
4-bromo-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 1234531

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-(2-methylcyclohexyl)benzamide?
The IUPAC name of 3,5-diamino-N-(2-methylcyclohexyl)benzamide (CID 61090027) is 3,5-diamino-N-(2-methylcyclohexyl)benzamide.
What is the SMILES notation for 3,5-diamino-N-(2-methylcyclohexyl)benzamide?
The canonical SMILES for 3,5-diamino-N-(2-methylcyclohexyl)benzamide is CC1CCCCC1NC(=O)c1cc(N)cc(N)c1.
What is the InChIKey of 3,5-diamino-N-(2-methylcyclohexyl)benzamide?
The InChIKey is NDUTVOWSNJGONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-9-4-2-3-5-13(9)17-14(18)10-6-11(15)8-12(16)7-10/h6-9,13H,2-5,15-16H2,1H3,(H,17,18).
What are the key properties of 3,5-diamino-N-(2-methylcyclohexyl)benzamide?
3,5-diamino-N-(2-methylcyclohexyl)benzamide has a molecular weight of 247.34 g/mol, XLogP of 2.16, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-(2-methylcyclohexyl)benzamide is sourced from PubChem (CID 61090027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).