3-(2-aminocyclohexen-1-yl)-N-(2-aminoethyl)-4-methylbenzamide

C16H23N3O — CID 156841400

IUPAC3-(2-aminocyclohexen-1-yl)-N-(2-aminoethyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCN)cc1C1=C(N)CCCC1
InChIInChI=1S/C16H23N3O/c1-11-6-7-12(16(20)19-9-8-17)10-14(11)13-4-2-3-5-15(13)18/h6-7,10H,2-5,8-9,17-18H2,1H3,(H,19,20)
InChIKeyVHGBZAHMTGJUIK-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.93
Rot. Bonds4

About 3-(2-aminocyclohexen-1-yl)-N-(2-aminoethyl)-4-methylbenzamide

3-(2-aminocyclohexen-1-yl)-N-(2-aminoethyl)-4-methylbenzamide (PubChem CID 156841400) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-(2-aminocyclohexen-1-yl)-N-(2-aminoethyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-(2-aminocyclohexen-1-yl)-N-(2-aminoethyl)-4-methylbenzamide
PubChem CID156841400
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-(2-aminocyclohexen-1-yl)-N-(2-aminoethyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCN)cc1C1=C(N)CCCC1
InChIInChI=1S/C16H23N3O/c1-11-6-7-12(16(20)19-9-8-17)10-14(11)13-4-2-3-5-15(13)18/h6-7,10H,2-5,8-9,17-18H2,1H3,(H,19,20)
InChIKeyVHGBZAHMTGJUIK-UHFFFAOYSA-N
XLogP1.93
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;hydrochloride
CID 119382194
N-(2-aminoethyl)-4-methyl-3-(3-methylbut-2-en-2-yl)benzamide
CID 156841315
1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide
CID 58098446
N-(2-aminoethyl)-4-chloro-3-methylbenzamide;hydrochloride
CID 119385642
N-(2-aminoethyl)-3-methoxy-4-methylbenzamide
CID 18071038
1-N,3-N-bis(2-aminoethyl)benzene-1,3-dicarboxamide
CID 54754655
1-N,3-N,5-N-tris(2-aminoethyl)benzene-1,3,5-tricarboxamide
CID 23569595
N-[2-(2-aminoethylcarbamoyl)phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 120604023
N-(2-methylsulfonylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60545524
N-(2-aminoethyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
CID 119382985
3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 119382339
N-(3-aminopropyl)-4-fluoro-3-methylbenzamide
CID 63208781

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminocyclohexen-1-yl)-N-(2-aminoethyl)-4-methylbenzamide?
The IUPAC name of 3-(2-aminocyclohexen-1-yl)-N-(2-aminoethyl)-4-methylbenzamide (CID 156841400) is 3-(2-aminocyclohexen-1-yl)-N-(2-aminoethyl)-4-methylbenzamide.
What is the SMILES notation for 3-(2-aminocyclohexen-1-yl)-N-(2-aminoethyl)-4-methylbenzamide?
The canonical SMILES for 3-(2-aminocyclohexen-1-yl)-N-(2-aminoethyl)-4-methylbenzamide is Cc1ccc(C(=O)NCCN)cc1C1=C(N)CCCC1.
What is the InChIKey of 3-(2-aminocyclohexen-1-yl)-N-(2-aminoethyl)-4-methylbenzamide?
The InChIKey is VHGBZAHMTGJUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11-6-7-12(16(20)19-9-8-17)10-14(11)13-4-2-3-5-15(13)18/h6-7,10H,2-5,8-9,17-18H2,1H3,(H,19,20).
What are the key properties of 3-(2-aminocyclohexen-1-yl)-N-(2-aminoethyl)-4-methylbenzamide?
3-(2-aminocyclohexen-1-yl)-N-(2-aminoethyl)-4-methylbenzamide has a molecular weight of 273.38 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminocyclohexen-1-yl)-N-(2-aminoethyl)-4-methylbenzamide is sourced from PubChem (CID 156841400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).