3-hydrazinyl-N,N-dimethyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine

C14H29N3OS — CID 105259141

IUPAC3-hydrazinyl-N,N-dimethyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
SMILESCN(C)CCC(NN)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C14H29N3OS/c1-17(2)7-3-13(16-15)12-4-8-18-14(11-12)5-9-19-10-6-14/h12-13,16H,3-11,15H2,1-2H3
InChIKeyYPIBGSRCWBBARO-UHFFFAOYSA-N
MW287.47 g/mol
LogP1.46
Rot. Bonds5

About 3-hydrazinyl-N,N-dimethyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine

3-hydrazinyl-N,N-dimethyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine (PubChem CID 105259141) has the molecular formula C14H29N3OS and a molecular weight of 287.47 g/mol. Its IUPAC name is 3-hydrazinyl-N,N-dimethyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-hydrazinyl-N,N-dimethyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
PubChem CID105259141
Molecular FormulaC14H29N3OS
Molecular Weight287.47 g/mol
Exact Mass287.20
IUPAC Name3-hydrazinyl-N,N-dimethyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
SMILESCN(C)CCC(NN)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C14H29N3OS/c1-17(2)7-3-13(16-15)12-4-8-18-14(11-12)5-9-19-10-6-14/h12-13,16H,3-11,15H2,1-2H3
InChIKeyYPIBGSRCWBBARO-UHFFFAOYSA-N
XLogP1.46
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-hydrazinyl-N,N-dimethyl-3-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine
CID 105259412
3-(dimethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-ol
CID 113291179
[2-(1-methoxycyclobutyl)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]hydrazine
CID 103560547
[3-(2,2-difluoroethoxy)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propyl]hydrazine
CID 103151883
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N,N',N'-trimethylpropane-1,3-diamine
CID 115346448
[3-cyclopentyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propyl]hydrazine
CID 105325937
[2-cyclopentyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethyl]hydrazine
CID 105325944
[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-pyridin-4-ylethyl]hydrazine
CID 105212345
3-methoxy-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914460
N',N'-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine
CID 113291213
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxypropyl]hydrazine
CID 105206283
1-(5-oxaspiro[3.5]nonan-8-yl)octylhydrazine
CID 105322193

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N,N-dimethyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine?
The IUPAC name of 3-hydrazinyl-N,N-dimethyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine (CID 105259141) is 3-hydrazinyl-N,N-dimethyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine.
What is the SMILES notation for 3-hydrazinyl-N,N-dimethyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine?
The canonical SMILES for 3-hydrazinyl-N,N-dimethyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine is CN(C)CCC(NN)C1CCOC2(CCSCC2)C1.
What is the InChIKey of 3-hydrazinyl-N,N-dimethyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine?
The InChIKey is YPIBGSRCWBBARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3OS/c1-17(2)7-3-13(16-15)12-4-8-18-14(11-12)5-9-19-10-6-14/h12-13,16H,3-11,15H2,1-2H3.
What are the key properties of 3-hydrazinyl-N,N-dimethyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine?
3-hydrazinyl-N,N-dimethyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine has a molecular weight of 287.47 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N,N-dimethyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine is sourced from PubChem (CID 105259141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).