3-(10-ethyl-10-methyl-9-thia-2-azaspiro[5.5]undecan-2-yl)propan-1-amine

C15H30N2S — CID 13285230

IUPAC3-(10-ethyl-10-methyl-9-thia-2-azaspiro[5.5]undecan-2-yl)propan-1-amine
SMILESCCC1(C)CC2(CCCN(CCCN)C2)CCS1
InChIInChI=1S/C15H30N2S/c1-3-14(2)12-15(7-11-18-14)6-4-9-17(13-15)10-5-8-16/h3-13,16H2,1-2H3
InChIKeyPWOCHDNGADNISS-UHFFFAOYSA-N
MW270.49 g/mol
LogP3.11
Rot. Bonds4

About 3-(10-ethyl-10-methyl-9-thia-2-azaspiro[5.5]undecan-2-yl)propan-1-amine

3-(10-ethyl-10-methyl-9-thia-2-azaspiro[5.5]undecan-2-yl)propan-1-amine (PubChem CID 13285230) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is 3-(10-ethyl-10-methyl-9-thia-2-azaspiro[5.5]undecan-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(10-ethyl-10-methyl-9-thia-2-azaspiro[5.5]undecan-2-yl)propan-1-amine
PubChem CID13285230
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC Name3-(10-ethyl-10-methyl-9-thia-2-azaspiro[5.5]undecan-2-yl)propan-1-amine
SMILESCCC1(C)CC2(CCCN(CCCN)C2)CCS1
InChIInChI=1S/C15H30N2S/c1-3-14(2)12-15(7-11-18-14)6-4-9-17(13-15)10-5-8-16/h3-13,16H2,1-2H3
InChIKeyPWOCHDNGADNISS-UHFFFAOYSA-N
XLogP3.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(10-ethyl-10-methyl-9-thia-2-azaspiro[5.5]undecan-2-yl)propan-1-amine?
The IUPAC name of 3-(10-ethyl-10-methyl-9-thia-2-azaspiro[5.5]undecan-2-yl)propan-1-amine (CID 13285230) is 3-(10-ethyl-10-methyl-9-thia-2-azaspiro[5.5]undecan-2-yl)propan-1-amine.
What is the SMILES notation for 3-(10-ethyl-10-methyl-9-thia-2-azaspiro[5.5]undecan-2-yl)propan-1-amine?
The canonical SMILES for 3-(10-ethyl-10-methyl-9-thia-2-azaspiro[5.5]undecan-2-yl)propan-1-amine is CCC1(C)CC2(CCCN(CCCN)C2)CCS1.
What is the InChIKey of 3-(10-ethyl-10-methyl-9-thia-2-azaspiro[5.5]undecan-2-yl)propan-1-amine?
The InChIKey is PWOCHDNGADNISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-3-14(2)12-15(7-11-18-14)6-4-9-17(13-15)10-5-8-16/h3-13,16H2,1-2H3.
What are the key properties of 3-(10-ethyl-10-methyl-9-thia-2-azaspiro[5.5]undecan-2-yl)propan-1-amine?
3-(10-ethyl-10-methyl-9-thia-2-azaspiro[5.5]undecan-2-yl)propan-1-amine has a molecular weight of 270.49 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10-ethyl-10-methyl-9-thia-2-azaspiro[5.5]undecan-2-yl)propan-1-amine is sourced from PubChem (CID 13285230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).