N-[(E)-2-fluoroprop-1-enyl]-3-methyl-11-(2-methylpropyl)-7-oxa-3-azaspiro[5.6]dodecan-8-amine

C18H33FN2O — CID 130371331

IUPACN-[(E)-2-fluoroprop-1-enyl]-3-methyl-11-(2-methylpropyl)-7-oxa-3-azaspiro[5.6]dodecan-8-amine
SMILESC/C(F)=C\NC1CCC(CC(C)C)CC2(CCN(C)CC2)O1
InChIInChI=1S/C18H33FN2O/c1-14(2)11-16-5-6-17(20-13-15(3)19)22-18(12-16)7-9-21(4)10-8-18/h13-14,16-17,20H,5-12H2,1-4H3/b15-13+
InChIKeyKQAWABDSYCKZBL-FYWRMAATSA-N
MW312.47 g/mol
LogP4.06
Rot. Bonds4

About N-[(E)-2-fluoroprop-1-enyl]-3-methyl-11-(2-methylpropyl)-7-oxa-3-azaspiro[5.6]dodecan-8-amine

N-[(E)-2-fluoroprop-1-enyl]-3-methyl-11-(2-methylpropyl)-7-oxa-3-azaspiro[5.6]dodecan-8-amine (PubChem CID 130371331) has the molecular formula C18H33FN2O and a molecular weight of 312.47 g/mol. Its IUPAC name is N-[(E)-2-fluoroprop-1-enyl]-3-methyl-11-(2-methylpropyl)-7-oxa-3-azaspiro[5.6]dodecan-8-amine.

Molecular Properties

Compound NameN-[(E)-2-fluoroprop-1-enyl]-3-methyl-11-(2-methylpropyl)-7-oxa-3-azaspiro[5.6]dodecan-8-amine
PubChem CID130371331
Molecular FormulaC18H33FN2O
Molecular Weight312.47 g/mol
Exact Mass312.26
IUPAC NameN-[(E)-2-fluoroprop-1-enyl]-3-methyl-11-(2-methylpropyl)-7-oxa-3-azaspiro[5.6]dodecan-8-amine
SMILESC/C(F)=C\NC1CCC(CC(C)C)CC2(CCN(C)CC2)O1
InChIInChI=1S/C18H33FN2O/c1-14(2)11-16-5-6-17(20-13-15(3)19)22-18(12-16)7-9-21(4)10-8-18/h13-14,16-17,20H,5-12H2,1-4H3/b15-13+
InChIKeyKQAWABDSYCKZBL-FYWRMAATSA-N
XLogP4.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-fluoroprop-1-enyl]-3-methyl-11-(2-methylpropyl)-7-oxa-3-azaspiro[5.6]dodecan-8-amine?
The IUPAC name of N-[(E)-2-fluoroprop-1-enyl]-3-methyl-11-(2-methylpropyl)-7-oxa-3-azaspiro[5.6]dodecan-8-amine (CID 130371331) is N-[(E)-2-fluoroprop-1-enyl]-3-methyl-11-(2-methylpropyl)-7-oxa-3-azaspiro[5.6]dodecan-8-amine.
What is the SMILES notation for N-[(E)-2-fluoroprop-1-enyl]-3-methyl-11-(2-methylpropyl)-7-oxa-3-azaspiro[5.6]dodecan-8-amine?
The canonical SMILES for N-[(E)-2-fluoroprop-1-enyl]-3-methyl-11-(2-methylpropyl)-7-oxa-3-azaspiro[5.6]dodecan-8-amine is C/C(F)=C\NC1CCC(CC(C)C)CC2(CCN(C)CC2)O1.
What is the InChIKey of N-[(E)-2-fluoroprop-1-enyl]-3-methyl-11-(2-methylpropyl)-7-oxa-3-azaspiro[5.6]dodecan-8-amine?
The InChIKey is KQAWABDSYCKZBL-FYWRMAATSA-N. The full InChI is InChI=1S/C18H33FN2O/c1-14(2)11-16-5-6-17(20-13-15(3)19)22-18(12-16)7-9-21(4)10-8-18/h13-14,16-17,20H,5-12H2,1-4H3/b15-13+.
What are the key properties of N-[(E)-2-fluoroprop-1-enyl]-3-methyl-11-(2-methylpropyl)-7-oxa-3-azaspiro[5.6]dodecan-8-amine?
N-[(E)-2-fluoroprop-1-enyl]-3-methyl-11-(2-methylpropyl)-7-oxa-3-azaspiro[5.6]dodecan-8-amine has a molecular weight of 312.47 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-fluoroprop-1-enyl]-3-methyl-11-(2-methylpropyl)-7-oxa-3-azaspiro[5.6]dodecan-8-amine is sourced from PubChem (CID 130371331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).