N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-oxa-2-thiaspiro[4.5]decan-9-amine

C16H30N2OS — CID 79900011

IUPACN-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESCCN(C1CCOC2(CCSC2)C1)C1CCCC1CN
InChIInChI=1S/C16H30N2OS/c1-2-18(15-5-3-4-13(15)11-17)14-6-8-19-16(10-14)7-9-20-12-16/h13-15H,2-12,17H2,1H3
InChIKeyKIZOHSSJNDKATB-UHFFFAOYSA-N
MW298.50 g/mol
LogP2.49
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-oxa-2-thiaspiro[4.5]decan-9-amine

N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-oxa-2-thiaspiro[4.5]decan-9-amine (PubChem CID 79900011) has the molecular formula C16H30N2OS and a molecular weight of 298.50 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-oxa-2-thiaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-oxa-2-thiaspiro[4.5]decan-9-amine
PubChem CID79900011
Molecular FormulaC16H30N2OS
Molecular Weight298.50 g/mol
Exact Mass298.21
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESCCN(C1CCOC2(CCSC2)C1)C1CCCC1CN
InChIInChI=1S/C16H30N2OS/c1-2-18(15-5-3-4-13(15)11-17)14-6-8-19-16(10-14)7-9-20-12-16/h13-15H,2-12,17H2,1H3
InChIKeyKIZOHSSJNDKATB-UHFFFAOYSA-N
XLogP2.49
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-ethyl-2,2-dimethyl-N'-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propane-1,3-diamine
CID 79902523
[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methanamine
CID 81010128
N',2,2-trimethyl-N'-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propane-1,3-diamine
CID 79900624
3-N-methyl-3-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butane-1,3-diamine
CID 79897829
N'-cyclobutyl-N'-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethane-1,2-diamine
CID 102875329
2-[ethyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]ethanol
CID 79919525
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-5,5-dimethylthian-3-amine
CID 79946621
2-[cyclopentyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)amino]ethanethioamide
CID 79901099
3-[cyclopropyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]propanenitrile
CID 79903016
N-cyclopropyl-N-(piperidin-4-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79898827
N-ethyl-N-(piperidin-2-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 106632717
N'-ethyl-2,2-dimethyl-N'-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propane-1,3-diamine
CID 79901501

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-oxa-2-thiaspiro[4.5]decan-9-amine (CID 79900011) is N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-oxa-2-thiaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-oxa-2-thiaspiro[4.5]decan-9-amine is CCN(C1CCOC2(CCSC2)C1)C1CCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The InChIKey is KIZOHSSJNDKATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2OS/c1-2-18(15-5-3-4-13(15)11-17)14-6-8-19-16(10-14)7-9-20-12-16/h13-15H,2-12,17H2,1H3.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-oxa-2-thiaspiro[4.5]decan-9-amine?
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-oxa-2-thiaspiro[4.5]decan-9-amine has a molecular weight of 298.50 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-oxa-2-thiaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79900011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).