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

C17H32N2O — CID 107206590

IUPACN-(5-aminopentyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
SMILESCN(CCCCCN)C(=O)C1CCC2CCCCC2C1
InChIInChI=1S/C17H32N2O/c1-19(12-6-2-5-11-18)17(20)16-10-9-14-7-3-4-8-15(14)13-16/h14-16H,2-13,18H2,1H3
InChIKeyFVWPZVUBTQZKMX-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.18
Rot. Bonds6

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

N-(5-aminopentyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide (PubChem CID 107206590) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-(5-aminopentyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
PubChem CID107206590
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-(5-aminopentyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
SMILESCN(CCCCCN)C(=O)C1CCC2CCCCC2C1
InChIInChI=1S/C17H32N2O/c1-19(12-6-2-5-11-18)17(20)16-10-9-14-7-3-4-8-15(14)13-16/h14-16H,2-13,18H2,1H3
InChIKeyFVWPZVUBTQZKMX-UHFFFAOYSA-N
XLogP3.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-aminopentyl)-N-methylcyclobutanecarboxamide
CID 107206716
N-(4-aminobutyl)-N-methylcyclohexanecarboxamide
CID 67635638
N-(3-aminopropyl)-N-methylcyclooctanecarboxamide
CID 65019001
N-(5-aminopentyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 107206759
N-(5-aminopentyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107206782
N-(5-aminopentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 107206663
N-(5-aminopentyl)-N-methyloxolane-3-carboxamide
CID 107206578
N-(3-aminopropyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 81483380
N-(2-aminoethyl)-N-methylcyclooctanecarboxamide
CID 65019367
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 107493238
N-methyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 106607375
N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 91646308

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The IUPAC name of N-(5-aminopentyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide (CID 107206590) is N-(5-aminopentyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(5-aminopentyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(5-aminopentyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide is CN(CCCCCN)C(=O)C1CCC2CCCCC2C1.
What is the InChIKey of N-(5-aminopentyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The InChIKey is FVWPZVUBTQZKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-19(12-6-2-5-11-18)17(20)16-10-9-14-7-3-4-8-15(14)13-16/h14-16H,2-13,18H2,1H3.
What are the key properties of N-(5-aminopentyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
N-(5-aminopentyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide has a molecular weight of 280.46 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide is sourced from PubChem (CID 107206590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).