3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]cyclopentane-1-carboxamide;dihydrochloride

C17H29Cl2N3O — CID 119831760

IUPAC3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCCN(CCNC(=O)C1CCC(N)C1)c1cccc(C)c1.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-3-20(16-6-4-5-13(2)11-16)10-9-19-17(21)14-7-8-15(18)12-14;;/h4-6,11,14-15H,3,7-10,12,18H2,1-2H3,(H,19,21);2*1H
InChIKeyPDJFCXCJASXYAH-UHFFFAOYSA-N
MW362.35 g/mol
LogP2.91
Rot. Bonds6

About 3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]cyclopentane-1-carboxamide;dihydrochloride

3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119831760) has the molecular formula C17H29Cl2N3O and a molecular weight of 362.35 g/mol. Its IUPAC name is 3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119831760
Molecular FormulaC17H29Cl2N3O
Molecular Weight362.35 g/mol
Exact Mass361.17
IUPAC Name3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCCN(CCNC(=O)C1CCC(N)C1)c1cccc(C)c1.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-3-20(16-6-4-5-13(2)11-16)10-9-19-17(21)14-7-8-15(18)12-14;;/h4-6,11,14-15H,3,7-10,12,18H2,1-2H3,(H,19,21);2*1H
InChIKeyPDJFCXCJASXYAH-UHFFFAOYSA-N
XLogP2.91
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,3R,4R)-3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]-4-methoxycyclohexane-1-carboxamide
CID 154816431
3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119831762
2,2-dichloro-N-[2-(N-ethyl-3-methylanilino)ethyl]cyclopropane-1-carboxamide
CID 78833214
(2R)-N-[2-(N-ethyl-3-methylanilino)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119831742
N-[2-(N-ethyl-3-methylanilino)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27754119
1-cyclopentyl-N-[2-(N-ethyl-3-methylanilino)ethyl]-6-oxopiperidine-3-carboxamide
CID 72860260
N-(cyclopropylmethyl)-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 61077282
2-[cyclopropyl(ethyl)amino]-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 112826130
1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109147165
3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide;dihydrochloride
CID 119831786
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea
CID 110892216
N-[2-(N-ethyl-3-methylanilino)ethyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 55739345

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]cyclopentane-1-carboxamide;dihydrochloride (CID 119831760) is 3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]cyclopentane-1-carboxamide;dihydrochloride is CCN(CCNC(=O)C1CCC(N)C1)c1cccc(C)c1.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is PDJFCXCJASXYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.2ClH/c1-3-20(16-6-4-5-13(2)11-16)10-9-19-17(21)14-7-8-15(18)12-14;;/h4-6,11,14-15H,3,7-10,12,18H2,1-2H3,(H,19,21);2*1H.
What are the key properties of 3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]cyclopentane-1-carboxamide;dihydrochloride?
3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 362.35 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119831760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).