1-cyclopropyl-N-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethane-1,2-diamine

C15H28N2OS — CID 116652448

IUPAC1-cyclopropyl-N-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethane-1,2-diamine
SMILESCN(C1CCOC2(CCSCC2)C1)C(CN)C1CC1
InChIInChI=1S/C15H28N2OS/c1-17(14(11-16)12-2-3-12)13-4-7-18-15(10-13)5-8-19-9-6-15/h12-14H,2-11,16H2,1H3
InChIKeyATHXBTJPCGFGTE-UHFFFAOYSA-N
MW284.47 g/mol
LogP2.10
Rot. Bonds4

About 1-cyclopropyl-N-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethane-1,2-diamine

1-cyclopropyl-N-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethane-1,2-diamine (PubChem CID 116652448) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethane-1,2-diamine
PubChem CID116652448
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC Name1-cyclopropyl-N-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethane-1,2-diamine
SMILESCN(C1CCOC2(CCSCC2)C1)C(CN)C1CC1
InChIInChI=1S/C15H28N2OS/c1-17(14(11-16)12-2-3-12)13-4-7-18-15(10-13)5-8-19-9-6-15/h12-14H,2-11,16H2,1H3
InChIKeyATHXBTJPCGFGTE-UHFFFAOYSA-N
XLogP2.10
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-N-methylethane-1,2-diamine
CID 116651576
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-N-methyl-2-N-(6-oxaspiro[4.5]decan-9-yl)propane-1,2-diamine
CID 104556896
N'-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N'-propylpropane-1,3-diamine
CID 79904584
1-[[methyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)amino]methyl]cyclopentan-1-ol
CID 114952588
N'-ethyl-2,2-dimethyl-N'-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propane-1,3-diamine
CID 79901501
1-N,4-N-dimethyl-4-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexane-1,4-diamine
CID 79902825
2-[methyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]butanoic acid
CID 79893827
3-(dimethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-ol
CID 113291179
3-N-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-N-methylbutane-1,3-diamine
CID 79897986
3-hydrazinyl-N,N-dimethyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 105259141

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethane-1,2-diamine (CID 116652448) is 1-cyclopropyl-N-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethane-1,2-diamine is CN(C1CCOC2(CCSCC2)C1)C(CN)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethane-1,2-diamine?
The InChIKey is ATHXBTJPCGFGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-17(14(11-16)12-2-3-12)13-4-7-18-15(10-13)5-8-19-9-6-15/h12-14H,2-11,16H2,1H3.
What are the key properties of 1-cyclopropyl-N-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethane-1,2-diamine?
1-cyclopropyl-N-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethane-1,2-diamine has a molecular weight of 284.47 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 116652448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).