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

C14H27NOS — CID 79914967

IUPAC2-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-ylmethyl)propan-1-amine
SMILESCC(C)CNCC1CCOC2(CCSCC2)C1
InChIInChI=1S/C14H27NOS/c1-12(2)10-15-11-13-3-6-16-14(9-13)4-7-17-8-5-14/h12-13,15H,3-11H2,1-2H3
InChIKeyBISLLMISCWZDHY-UHFFFAOYSA-N
MW257.44 g/mol
LogP2.92
Rot. Bonds4

About 2-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-ylmethyl)propan-1-amine

2-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-ylmethyl)propan-1-amine (PubChem CID 79914967) has the molecular formula C14H27NOS and a molecular weight of 257.44 g/mol. Its IUPAC name is 2-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-ylmethyl)propan-1-amine
PubChem CID79914967
Molecular FormulaC14H27NOS
Molecular Weight257.44 g/mol
Exact Mass257.18
IUPAC Name2-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-ylmethyl)propan-1-amine
SMILESCC(C)CNCC1CCOC2(CCSCC2)C1
InChIInChI=1S/C14H27NOS/c1-12(2)10-15-11-13-3-6-16-14(9-13)4-7-17-8-5-14/h12-13,15H,3-11H2,1-2H3
InChIKeyBISLLMISCWZDHY-UHFFFAOYSA-N
XLogP2.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(6-oxaspiro[4.5]decan-9-ylmethyl)propan-1-amine
CID 79914861
N-(6-oxa-2-thiaspiro[4.5]decan-9-ylmethyl)propan-2-amine
CID 79915541
N-(5-oxaspiro[3.5]nonan-8-ylmethyl)propan-2-amine
CID 79914114
2-methyl-N-[3-(1-oxaspiro[5.5]undecan-4-yl)propyl]propan-1-amine
CID 79923870
2-methyl-N-(2-methylpropyl)-3-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
CID 79923005
3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-2-one
CID 79894494
N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hexan-3-amine
CID 79923117
2-(ethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 79924056
N-(6-oxaspiro[4.5]decan-9-ylmethyl)ethanamine
CID 79914759
N-(3-methyl-2-propan-2-ylbutyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 102905444
2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine
CID 79923979
N-ethyl-2-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 81015584

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-ylmethyl)propan-1-amine?
The IUPAC name of 2-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-ylmethyl)propan-1-amine (CID 79914967) is 2-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-ylmethyl)propan-1-amine?
The canonical SMILES for 2-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-ylmethyl)propan-1-amine is CC(C)CNCC1CCOC2(CCSCC2)C1.
What is the InChIKey of 2-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-ylmethyl)propan-1-amine?
The InChIKey is BISLLMISCWZDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NOS/c1-12(2)10-15-11-13-3-6-16-14(9-13)4-7-17-8-5-14/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 2-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-ylmethyl)propan-1-amine?
2-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-ylmethyl)propan-1-amine has a molecular weight of 257.44 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 79914967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).