N-[5-(methylamino)pentyl]-2-propyl-2-azaspiro[3.3]heptane-6-carboxamide

C16H31N3O — CID 166466742

IUPACN-[5-(methylamino)pentyl]-2-propyl-2-azaspiro[3.3]heptane-6-carboxamide
SMILESCCCN1CC2(CC(C(=O)NCCCCCNC)C2)C1
InChIInChI=1S/C16H31N3O/c1-3-9-19-12-16(13-19)10-14(11-16)15(20)18-8-6-4-5-7-17-2/h14,17H,3-13H2,1-2H3,(H,18,20)
InChIKeyFPPVMBUDHFWFRI-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.61
Rot. Bonds9

About N-[5-(methylamino)pentyl]-2-propyl-2-azaspiro[3.3]heptane-6-carboxamide

N-[5-(methylamino)pentyl]-2-propyl-2-azaspiro[3.3]heptane-6-carboxamide (PubChem CID 166466742) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[5-(methylamino)pentyl]-2-propyl-2-azaspiro[3.3]heptane-6-carboxamide.

Molecular Properties

Compound NameN-[5-(methylamino)pentyl]-2-propyl-2-azaspiro[3.3]heptane-6-carboxamide
PubChem CID166466742
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-[5-(methylamino)pentyl]-2-propyl-2-azaspiro[3.3]heptane-6-carboxamide
SMILESCCCN1CC2(CC(C(=O)NCCCCCNC)C2)C1
InChIInChI=1S/C16H31N3O/c1-3-9-19-12-16(13-19)10-14(11-16)15(20)18-8-6-4-5-7-17-2/h14,17H,3-13H2,1-2H3,(H,18,20)
InChIKeyFPPVMBUDHFWFRI-UHFFFAOYSA-N
XLogP1.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,6,6-tetramethyl-N-[6-[(2,2,6,6-tetramethylpiperidine-4-carbonyl)amino]hexyl]piperidine-4-carboxamide
CID 22323174
3,3-difluoro-N-propylcyclobutane-1-carboxamide
CID 130711162
N,1-didodecyl-5-oxopyrrolidine-3-carboxamide
CID 66680655
N-ethylspiro[3.3]heptane-2-carboxamide
CID 164555902
1-butylsulfonyl-N-[3-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride
CID 119430937
1-ethylsulfonyl-N-heptylpiperidine-4-carboxamide
CID 174300935
1-N,3-N,5-N-tris[(Z)-icos-9-enyl]cyclohexane-1,3,5-tricarboxamide
CID 87832718
1-N,3-N,5-N-tris(icos-9-enyl)cyclohexane-1,3,5-tricarboxamide
CID 91306544
cis-(1S,5R)-1-N,5-N-didodecyl-3-N-[(Z)-octadec-9-enyl]cyclohexane-1,3,5-tricarboxamide
CID 69431968
N-methyldecan-1-amine;methyl N-decylcarbamate
CID 137370679
3-(dodecylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 154961304
1-(1-aminocyclopropanecarbonyl)-N-pentylpiperidine-4-carboxamide;hydrochloride
CID 119720581

Frequently Asked Questions

What is the IUPAC name of N-[5-(methylamino)pentyl]-2-propyl-2-azaspiro[3.3]heptane-6-carboxamide?
The IUPAC name of N-[5-(methylamino)pentyl]-2-propyl-2-azaspiro[3.3]heptane-6-carboxamide (CID 166466742) is N-[5-(methylamino)pentyl]-2-propyl-2-azaspiro[3.3]heptane-6-carboxamide.
What is the SMILES notation for N-[5-(methylamino)pentyl]-2-propyl-2-azaspiro[3.3]heptane-6-carboxamide?
The canonical SMILES for N-[5-(methylamino)pentyl]-2-propyl-2-azaspiro[3.3]heptane-6-carboxamide is CCCN1CC2(CC(C(=O)NCCCCCNC)C2)C1.
What is the InChIKey of N-[5-(methylamino)pentyl]-2-propyl-2-azaspiro[3.3]heptane-6-carboxamide?
The InChIKey is FPPVMBUDHFWFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-3-9-19-12-16(13-19)10-14(11-16)15(20)18-8-6-4-5-7-17-2/h14,17H,3-13H2,1-2H3,(H,18,20).
What are the key properties of N-[5-(methylamino)pentyl]-2-propyl-2-azaspiro[3.3]heptane-6-carboxamide?
N-[5-(methylamino)pentyl]-2-propyl-2-azaspiro[3.3]heptane-6-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 1.61, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methylamino)pentyl]-2-propyl-2-azaspiro[3.3]heptane-6-carboxamide is sourced from PubChem (CID 166466742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).