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

C17H24N2O — CID 63042686

IUPAC3-amino-N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NC2CCCc3ccccc32)C1
InChIInChI=1S/C17H24N2O/c18-14-8-3-7-13(11-14)17(20)19-16-10-4-6-12-5-1-2-9-15(12)16/h1-2,5,9,13-14,16H,3-4,6-8,10-11,18H2,(H,19,20)
InChIKeyZOIYVHBGHQHAPB-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.70
Rot. Bonds2

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

3-amino-N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxamide (PubChem CID 63042686) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-amino-N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxamide
PubChem CID63042686
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3-amino-N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NC2CCCc3ccccc32)C1
InChIInChI=1S/C17H24N2O/c18-14-8-3-7-13(11-14)17(20)19-16-10-4-6-12-5-1-2-9-15(12)16/h1-2,5,9,13-14,16H,3-4,6-8,10-11,18H2,(H,19,20)
InChIKeyZOIYVHBGHQHAPB-UHFFFAOYSA-N
XLogP2.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide
CID 63042687
3-amino-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxamide
CID 122081064
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
N-(2,3-dihydro-1H-inden-1-yl)cyclobutanecarboxamide
CID 47129715
trans-(1R,2R)-2-amino-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopentane-1-carboxamide
CID 177310658
N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide
CID 43652010
3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide
CID 66032874
cis-(1R,2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124670671
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
3-amino-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)cyclohexane-1-carboxamide
CID 119787796
(1S,5S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 98289017

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxamide (CID 63042686) is 3-amino-N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxamide is NC1CCCC(C(=O)NC2CCCc3ccccc32)C1.
What is the InChIKey of 3-amino-N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxamide?
The InChIKey is ZOIYVHBGHQHAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c18-14-8-3-7-13(11-14)17(20)19-16-10-4-6-12-5-1-2-9-15(12)16/h1-2,5,9,13-14,16H,3-4,6-8,10-11,18H2,(H,19,20).
What are the key properties of 3-amino-N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxamide?
3-amino-N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 63042686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).