3-amino-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxamide

C17H25N3O — CID 122081064

IUPAC3-amino-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxamide
SMILESNc1ccc2c(c1)CCCC2NC(=O)C1CCCC(N)C1
InChIInChI=1S/C17H25N3O/c18-13-5-1-4-12(10-13)17(21)20-16-6-2-3-11-9-14(19)7-8-15(11)16/h7-9,12-13,16H,1-6,10,18-19H2,(H,20,21)
InChIKeyPAOIYAUJBKVCGC-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.28
Rot. Bonds2

About 3-amino-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxamide

3-amino-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxamide (PubChem CID 122081064) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-amino-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxamide
PubChem CID122081064
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3-amino-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxamide
SMILESNc1ccc2c(c1)CCCC2NC(=O)C1CCCC(N)C1
InChIInChI=1S/C17H25N3O/c18-13-5-1-4-12(10-13)17(21)20-16-6-2-3-11-9-14(19)7-8-15(11)16/h7-9,12-13,16H,1-6,10,18-19H2,(H,20,21)
InChIKeyPAOIYAUJBKVCGC-UHFFFAOYSA-N
XLogP2.28
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.28
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-N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxamide
CID 63042686
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)oxane-4-carboxamide
CID 116649753
3-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopentane-1-carboxamide
CID 119760686
3-amino-N-(2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide
CID 63042687
3-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,1-dimethylurea
CID 116650161
3-amino-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)cyclohexane-1-carboxamide
CID 119787796
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methylpyrrolidine-3-carboxamide
CID 79741197
4-(aminomethyl)-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 122081059
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-3-carboxamide
CID 83192047
1-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea
CID 131960556
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429
3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide
CID 63041813

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxamide (CID 122081064) is 3-amino-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxamide is Nc1ccc2c(c1)CCCC2NC(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxamide?
The InChIKey is PAOIYAUJBKVCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c18-13-5-1-4-12(10-13)17(21)20-16-6-2-3-11-9-14(19)7-8-15(11)16/h7-9,12-13,16H,1-6,10,18-19H2,(H,20,21).
What are the key properties of 3-amino-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxamide?
3-amino-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 2.28, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 122081064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).