2-(cyclopentylmethyl)-9-propan-2-yl-1-oxa-4-azaspiro[5.6]dodecane

C19H35NO — CID 103161203

IUPAC2-(cyclopentylmethyl)-9-propan-2-yl-1-oxa-4-azaspiro[5.6]dodecane
SMILESCC(C)C1CCCC2(CC1)CNCC(CC1CCCC1)O2
InChIInChI=1S/C19H35NO/c1-15(2)17-8-5-10-19(11-9-17)14-20-13-18(21-19)12-16-6-3-4-7-16/h15-18,20H,3-14H2,1-2H3
InChIKeyNLACCROZZNTPHU-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.53
Rot. Bonds3

About 2-(cyclopentylmethyl)-9-propan-2-yl-1-oxa-4-azaspiro[5.6]dodecane

2-(cyclopentylmethyl)-9-propan-2-yl-1-oxa-4-azaspiro[5.6]dodecane (PubChem CID 103161203) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-9-propan-2-yl-1-oxa-4-azaspiro[5.6]dodecane.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-9-propan-2-yl-1-oxa-4-azaspiro[5.6]dodecane
PubChem CID103161203
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC Name2-(cyclopentylmethyl)-9-propan-2-yl-1-oxa-4-azaspiro[5.6]dodecane
SMILESCC(C)C1CCCC2(CC1)CNCC(CC1CCCC1)O2
InChIInChI=1S/C19H35NO/c1-15(2)17-8-5-10-19(11-9-17)14-20-13-18(21-19)12-16-6-3-4-7-16/h15-18,20H,3-14H2,1-2H3
InChIKeyNLACCROZZNTPHU-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-9-propan-2-yl-1-oxa-4-azaspiro[5.6]dodecane?
The IUPAC name of 2-(cyclopentylmethyl)-9-propan-2-yl-1-oxa-4-azaspiro[5.6]dodecane (CID 103161203) is 2-(cyclopentylmethyl)-9-propan-2-yl-1-oxa-4-azaspiro[5.6]dodecane.
What is the SMILES notation for 2-(cyclopentylmethyl)-9-propan-2-yl-1-oxa-4-azaspiro[5.6]dodecane?
The canonical SMILES for 2-(cyclopentylmethyl)-9-propan-2-yl-1-oxa-4-azaspiro[5.6]dodecane is CC(C)C1CCCC2(CC1)CNCC(CC1CCCC1)O2.
What is the InChIKey of 2-(cyclopentylmethyl)-9-propan-2-yl-1-oxa-4-azaspiro[5.6]dodecane?
The InChIKey is NLACCROZZNTPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-15(2)17-8-5-10-19(11-9-17)14-20-13-18(21-19)12-16-6-3-4-7-16/h15-18,20H,3-14H2,1-2H3.
What are the key properties of 2-(cyclopentylmethyl)-9-propan-2-yl-1-oxa-4-azaspiro[5.6]dodecane?
2-(cyclopentylmethyl)-9-propan-2-yl-1-oxa-4-azaspiro[5.6]dodecane has a molecular weight of 293.50 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-9-propan-2-yl-1-oxa-4-azaspiro[5.6]dodecane is sourced from PubChem (CID 103161203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).