1-cyclopropyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine

C18H33NOS — CID 79907331

IUPAC1-cyclopropyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCOC2(CCSCC2)C1)C1CC1
InChIInChI=1S/C18H33NOS/c1-2-10-19-17(16-4-5-16)6-3-15-7-11-20-18(14-15)8-12-21-13-9-18/h15-17,19H,2-14H2,1H3
InChIKeyZZOGKLCUVSRQQK-UHFFFAOYSA-N
MW311.54 g/mol
LogP4.24
Rot. Bonds7

About 1-cyclopropyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine

1-cyclopropyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine (PubChem CID 79907331) has the molecular formula C18H33NOS and a molecular weight of 311.54 g/mol. Its IUPAC name is 1-cyclopropyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine
PubChem CID79907331
Molecular FormulaC18H33NOS
Molecular Weight311.54 g/mol
Exact Mass311.23
IUPAC Name1-cyclopropyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCOC2(CCSCC2)C1)C1CC1
InChIInChI=1S/C18H33NOS/c1-2-10-19-17(16-4-5-16)6-3-15-7-11-20-18(14-15)8-12-21-13-9-18/h15-17,19H,2-14H2,1H3
InChIKeyZZOGKLCUVSRQQK-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.54
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hexan-3-amine
CID 79923117
N-[cyclopentyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]propan-1-amine
CID 79908146
N-[(2-methylcyclopropyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]propan-1-amine
CID 79911525
4-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylbutan-2-amine
CID 79924363
3-cyclopentyl-1-cyclopropyl-N-propylpropan-1-amine
CID 63354880
1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine
CID 79911364
4-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylpentan-1-amine
CID 79915623
N-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-2-amine
CID 79922985
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine
CID 79911722
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methyl-N-propylpentan-3-amine
CID 79922477
2-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-ylmethyl)propan-1-amine
CID 79914967
3-cyclopentyl-N-propyl-1-(thiolan-3-yl)propan-1-amine
CID 114193134

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-cyclopropyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine (CID 79907331) is 1-cyclopropyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-cyclopropyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-cyclopropyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine is CCCNC(CCC1CCOC2(CCSCC2)C1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine?
The InChIKey is ZZOGKLCUVSRQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NOS/c1-2-10-19-17(16-4-5-16)6-3-15-7-11-20-18(14-15)8-12-21-13-9-18/h15-17,19H,2-14H2,1H3.
What are the key properties of 1-cyclopropyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine?
1-cyclopropyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine has a molecular weight of 311.54 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 79907331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).