4-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)-N,N-dimethylbut-2-yn-1-amine

C17H30N2O — CID 3143028

IUPAC4-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)-N,N-dimethylbut-2-yn-1-amine
SMILESCN(C)CC#CCN1CCCC2(CCOC(C)(C)C2)C1
InChIInChI=1S/C17H30N2O/c1-16(2)14-17(9-13-20-16)8-7-12-19(15-17)11-6-5-10-18(3)4/h7-15H2,1-4H3
InChIKeyFNHNVWBVDVWANA-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.22
Rot. Bonds2

About 4-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)-N,N-dimethylbut-2-yn-1-amine

4-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)-N,N-dimethylbut-2-yn-1-amine (PubChem CID 3143028) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)-N,N-dimethylbut-2-yn-1-amine.

Molecular Properties

Compound Name4-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)-N,N-dimethylbut-2-yn-1-amine
PubChem CID3143028
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name4-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)-N,N-dimethylbut-2-yn-1-amine
SMILESCN(C)CC#CCN1CCCC2(CCOC(C)(C)C2)C1
InChIInChI=1S/C17H30N2O/c1-16(2)14-17(9-13-20-16)8-7-12-19(15-17)11-6-5-10-18(3)4/h7-15H2,1-4H3
InChIKeyFNHNVWBVDVWANA-UHFFFAOYSA-N
XLogP2.22
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)-N,N-dimethylbut-2-yn-1-amine?
The IUPAC name of 4-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)-N,N-dimethylbut-2-yn-1-amine (CID 3143028) is 4-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)-N,N-dimethylbut-2-yn-1-amine.
What is the SMILES notation for 4-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)-N,N-dimethylbut-2-yn-1-amine?
The canonical SMILES for 4-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)-N,N-dimethylbut-2-yn-1-amine is CN(C)CC#CCN1CCCC2(CCOC(C)(C)C2)C1.
What is the InChIKey of 4-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)-N,N-dimethylbut-2-yn-1-amine?
The InChIKey is FNHNVWBVDVWANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-16(2)14-17(9-13-20-16)8-7-12-19(15-17)11-6-5-10-18(3)4/h7-15H2,1-4H3.
What are the key properties of 4-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)-N,N-dimethylbut-2-yn-1-amine?
4-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)-N,N-dimethylbut-2-yn-1-amine has a molecular weight of 278.44 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)-N,N-dimethylbut-2-yn-1-amine is sourced from PubChem (CID 3143028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).