N-(2-butyl-2-azaspiro[3.3]heptan-6-yl)formamide;(5R)-1,6-diazabicyclo[3.2.1]octan-7-one

C17H30N4O2 — CID 145375401

IUPACN-(2-butyl-2-azaspiro[3.3]heptan-6-yl)formamide;(5R)-1,6-diazabicyclo[3.2.1]octan-7-one
SMILESCCCCN1CC2(CC(NC=O)C2)C1.O=C1N[C@@H]2CCCN1C2
InChIInChI=1S/C11H20N2O.C6H10N2O/c1-2-3-4-13-7-11(8-13)5-10(6-11)12-9-14;9-6-7-5-2-1-3-8(6)4-5/h9-10H,2-8H2,1H3,(H,12,14);5H,1-4H2,(H,7,9)/t;5-/m.1/s1
InChIKeyLYKZBVOVPZPNEA-QDXATWJZSA-N
MW322.45 g/mol
LogP1.17
Rot. Bonds5

About N-(2-butyl-2-azaspiro[3.3]heptan-6-yl)formamide;(5R)-1,6-diazabicyclo[3.2.1]octan-7-one

N-(2-butyl-2-azaspiro[3.3]heptan-6-yl)formamide;(5R)-1,6-diazabicyclo[3.2.1]octan-7-one (PubChem CID 145375401) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-(2-butyl-2-azaspiro[3.3]heptan-6-yl)formamide;(5R)-1,6-diazabicyclo[3.2.1]octan-7-one.

Molecular Properties

Compound NameN-(2-butyl-2-azaspiro[3.3]heptan-6-yl)formamide;(5R)-1,6-diazabicyclo[3.2.1]octan-7-one
PubChem CID145375401
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC NameN-(2-butyl-2-azaspiro[3.3]heptan-6-yl)formamide;(5R)-1,6-diazabicyclo[3.2.1]octan-7-one
SMILESCCCCN1CC2(CC(NC=O)C2)C1.O=C1N[C@@H]2CCCN1C2
InChIInChI=1S/C11H20N2O.C6H10N2O/c1-2-3-4-13-7-11(8-13)5-10(6-11)12-9-14;9-6-7-5-2-1-3-8(6)4-5/h9-10H,2-8H2,1H3,(H,12,14);5H,1-4H2,(H,7,9)/t;5-/m.1/s1
InChIKeyLYKZBVOVPZPNEA-QDXATWJZSA-N
XLogP1.17
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-pentylpiperidin-4-yl)formamide
CID 174935112
2-butyl-2-azaspiro[3.3]heptane
CID 170365296
N-(1-propylazetidin-3-yl)formamide
CID 131204150
1-butyl-N-methylpiperidin-3-amine
CID 62534430
1-decylpiperidine-3-carbaldehyde
CID 55195177
2-butyl-2,6-diazaspiro[3.3]heptane
CID 159477315
N-(4-pentylcyclohexyl)formamide
CID 118946669
N-(1-heptylpiperidin-3-yl)acetamide
CID 21122308
5-butyl-5-azaspiro[2.5]octane
CID 130224729
2-(1-pentylpiperidin-4-yl)acetaldehyde
CID 88843221
1-butyl-N-propylpiperidine-3-carboxamide
CID 60606926
N-(1,2,2,6,6-pentamethylpiperidin-4-yl)formamide
CID 54232552

Frequently Asked Questions

What is the IUPAC name of N-(2-butyl-2-azaspiro[3.3]heptan-6-yl)formamide;(5R)-1,6-diazabicyclo[3.2.1]octan-7-one?
The IUPAC name of N-(2-butyl-2-azaspiro[3.3]heptan-6-yl)formamide;(5R)-1,6-diazabicyclo[3.2.1]octan-7-one (CID 145375401) is N-(2-butyl-2-azaspiro[3.3]heptan-6-yl)formamide;(5R)-1,6-diazabicyclo[3.2.1]octan-7-one.
What is the SMILES notation for N-(2-butyl-2-azaspiro[3.3]heptan-6-yl)formamide;(5R)-1,6-diazabicyclo[3.2.1]octan-7-one?
The canonical SMILES for N-(2-butyl-2-azaspiro[3.3]heptan-6-yl)formamide;(5R)-1,6-diazabicyclo[3.2.1]octan-7-one is CCCCN1CC2(CC(NC=O)C2)C1.O=C1N[C@@H]2CCCN1C2.
What is the InChIKey of N-(2-butyl-2-azaspiro[3.3]heptan-6-yl)formamide;(5R)-1,6-diazabicyclo[3.2.1]octan-7-one?
The InChIKey is LYKZBVOVPZPNEA-QDXATWJZSA-N. The full InChI is InChI=1S/C11H20N2O.C6H10N2O/c1-2-3-4-13-7-11(8-13)5-10(6-11)12-9-14;9-6-7-5-2-1-3-8(6)4-5/h9-10H,2-8H2,1H3,(H,12,14);5H,1-4H2,(H,7,9)/t;5-/m.1/s1.
What are the key properties of N-(2-butyl-2-azaspiro[3.3]heptan-6-yl)formamide;(5R)-1,6-diazabicyclo[3.2.1]octan-7-one?
N-(2-butyl-2-azaspiro[3.3]heptan-6-yl)formamide;(5R)-1,6-diazabicyclo[3.2.1]octan-7-one has a molecular weight of 322.45 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butyl-2-azaspiro[3.3]heptan-6-yl)formamide;(5R)-1,6-diazabicyclo[3.2.1]octan-7-one is sourced from PubChem (CID 145375401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).