N-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]-3,3-dimethylbutan-1-amine

C18H36N2 — CID 63502262

IUPACN-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CCNCCN1CCC2(CCCCC2)CC1
InChIInChI=1S/C18H36N2/c1-17(2,3)9-12-19-13-16-20-14-10-18(11-15-20)7-5-4-6-8-18/h19H,4-16H2,1-3H3
InChIKeyPHQXJQVYHVWYRH-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.06
Rot. Bonds5

About N-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]-3,3-dimethylbutan-1-amine

N-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]-3,3-dimethylbutan-1-amine (PubChem CID 63502262) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is N-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]-3,3-dimethylbutan-1-amine
PubChem CID63502262
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC NameN-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CCNCCN1CCC2(CCCCC2)CC1
InChIInChI=1S/C18H36N2/c1-17(2,3)9-12-19-13-16-20-14-10-18(11-15-20)7-5-4-6-8-18/h19H,4-16H2,1-3H3
InChIKeyPHQXJQVYHVWYRH-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.06
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]-3,3-dimethylbutan-1-amine?
The IUPAC name of N-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]-3,3-dimethylbutan-1-amine (CID 63502262) is N-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]-3,3-dimethylbutan-1-amine is CC(C)(C)CCNCCN1CCC2(CCCCC2)CC1.
What is the InChIKey of N-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]-3,3-dimethylbutan-1-amine?
The InChIKey is PHQXJQVYHVWYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-17(2,3)9-12-19-13-16-20-14-10-18(11-15-20)7-5-4-6-8-18/h19H,4-16H2,1-3H3.
What are the key properties of N-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]-3,3-dimethylbutan-1-amine?
N-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]-3,3-dimethylbutan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 63502262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).