N-[(3-aminocyclopentyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide

C17H30N2O — CID 106121226

IUPACN-[(3-aminocyclopentyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
SMILESNC1CCC(CNC(=O)C2CCC3CCCCC3C2)C1
InChIInChI=1S/C17H30N2O/c18-16-8-5-12(9-16)11-19-17(20)15-7-6-13-3-1-2-4-14(13)10-15/h12-16H,1-11,18H2,(H,19,20)
InChIKeyVIRFINDARSADJA-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.84
Rot. Bonds3

About N-[(3-aminocyclopentyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide

N-[(3-aminocyclopentyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide (PubChem CID 106121226) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[(3-aminocyclopentyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-aminocyclopentyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
PubChem CID106121226
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[(3-aminocyclopentyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
SMILESNC1CCC(CNC(=O)C2CCC3CCCCC3C2)C1
InChIInChI=1S/C17H30N2O/c18-16-8-5-12(9-16)11-19-17(20)15-7-6-13-3-1-2-4-14(13)10-15/h12-16H,1-11,18H2,(H,19,20)
InChIKeyVIRFINDARSADJA-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(3-aminocyclopentyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide with MolForge

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Related Compounds

N-[(3-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 114146502
N-[(3-aminocyclopentyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 106121317
9-amino-N-(cyclopropylmethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120984863
N-[(3-aminocyclopentyl)methyl]-4-tert-butylcyclohexane-1-carboxamide
CID 106121672
N-[(3-aminocyclobutyl)methyl]cyclopropanecarboxamide
CID 66004927
1-[[(1S,3R)-3-aminocyclopentyl]methyl]-3-cyclopentylurea
CID 165447997
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)cyclopentane-1-carboxamide
CID 66010683
N-[(3-aminocyclopentyl)methyl]oxane-2-carboxamide
CID 106121843
N-(3-iodopropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 114504183
3-amino-N-[(4-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide
CID 106135746
N-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide
CID 125471839
3-amino-N-(2-cyclopentylethyl)cyclopentane-1-carboxamide
CID 66010406

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclopentyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The IUPAC name of N-[(3-aminocyclopentyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide (CID 106121226) is N-[(3-aminocyclopentyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[(3-aminocyclopentyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[(3-aminocyclopentyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide is NC1CCC(CNC(=O)C2CCC3CCCCC3C2)C1.
What is the InChIKey of N-[(3-aminocyclopentyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The InChIKey is VIRFINDARSADJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c18-16-8-5-12(9-16)11-19-17(20)15-7-6-13-3-1-2-4-14(13)10-15/h12-16H,1-11,18H2,(H,19,20).
What are the key properties of N-[(3-aminocyclopentyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
N-[(3-aminocyclopentyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide has a molecular weight of 278.44 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclopentyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide is sourced from PubChem (CID 106121226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).