N-[cyclopentyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]propan-1-amine

C18H33NOS — CID 79908146

IUPACN-[cyclopentyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCCC1)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C18H33NOS/c1-2-10-19-17(15-5-3-4-6-15)16-7-11-20-18(14-16)8-12-21-13-9-18/h15-17,19H,2-14H2,1H3
InChIKeyCIBLSAPGRXPBSY-UHFFFAOYSA-N
MW311.53 g/mol
LogP4.24
Rot. Bonds5

About N-[cyclopentyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]propan-1-amine

N-[cyclopentyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]propan-1-amine (PubChem CID 79908146) has the molecular formula C18H33NOS and a molecular weight of 311.53 g/mol. Its IUPAC name is N-[cyclopentyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclopentyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]propan-1-amine
PubChem CID79908146
Molecular FormulaC18H33NOS
Molecular Weight311.53 g/mol
Exact Mass311.23
IUPAC NameN-[cyclopentyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCCC1)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C18H33NOS/c1-2-10-19-17(15-5-3-4-6-15)16-7-11-20-18(14-16)8-12-21-13-9-18/h15-17,19H,2-14H2,1H3
InChIKeyCIBLSAPGRXPBSY-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.53
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79914136
N-[cyclohexyl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79907861
N-[(2-methylcyclopropyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]propan-1-amine
CID 79911525
N-[oxan-4-yl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79910518
N-[cyclopentyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 79914457
N-[6-bicyclo[3.1.0]hexanyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 105017704
N-[6-oxa-2-thiaspiro[4.5]decan-9-yl(thiolan-2-yl)methyl]propan-1-amine
CID 80626644
N-[(3-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
CID 79908691
N-[(3-methylcyclopentyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79910791
N-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(thiolan-3-yl)methyl]ethanamine
CID 105170844
N-[(2,2-dimethylcyclopropyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 107004801
N-[(2-methylcyclopropyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
CID 79911700

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclopentyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]propan-1-amine (CID 79908146) is N-[cyclopentyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclopentyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclopentyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]propan-1-amine is CCCNC(C1CCCC1)C1CCOC2(CCSCC2)C1.
What is the InChIKey of N-[cyclopentyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]propan-1-amine?
The InChIKey is CIBLSAPGRXPBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NOS/c1-2-10-19-17(15-5-3-4-6-15)16-7-11-20-18(14-16)8-12-21-13-9-18/h15-17,19H,2-14H2,1H3.
What are the key properties of N-[cyclopentyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]propan-1-amine?
N-[cyclopentyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]propan-1-amine has a molecular weight of 311.53 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 79908146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).