2-N,2-N,2-trimethyl-1-N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)propane-1,2-diamine

C14H27N3S — CID 113294236

IUPAC2-N,2-N,2-trimethyl-1-N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)propane-1,2-diamine
SMILESCN(C)C(C)(C)CNC1=NCC2(CCCC2)CS1
InChIInChI=1S/C14H27N3S/c1-13(2,17(3)4)9-15-12-16-10-14(11-18-12)7-5-6-8-14/h5-11H2,1-4H3,(H,15,16)
InChIKeySCERJZYCUMIYDN-UHFFFAOYSA-N
MW269.46 g/mol
LogP2.58
Rot. Bonds3

About 2-N,2-N,2-trimethyl-1-N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)propane-1,2-diamine

2-N,2-N,2-trimethyl-1-N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)propane-1,2-diamine (PubChem CID 113294236) has the molecular formula C14H27N3S and a molecular weight of 269.46 g/mol. Its IUPAC name is 2-N,2-N,2-trimethyl-1-N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,2-trimethyl-1-N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)propane-1,2-diamine
PubChem CID113294236
Molecular FormulaC14H27N3S
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC Name2-N,2-N,2-trimethyl-1-N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)propane-1,2-diamine
SMILESCN(C)C(C)(C)CNC1=NCC2(CCCC2)CS1
InChIInChI=1S/C14H27N3S/c1-13(2,17(3)4)9-15-12-16-10-14(11-18-12)7-5-6-8-14/h5-11H2,1-4H3,(H,15,16)
InChIKeySCERJZYCUMIYDN-UHFFFAOYSA-N
XLogP2.58
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967538
N-[(1-methylcyclopropyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 114101129
ethyl 2-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)acetate
CID 113359768
N-(5,5,5-trifluoropentyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103968010
N-(thiolan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 113359779
N-[(1-ethylpyrrolidin-3-yl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361289
4-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)butanamide
CID 113294183
N-[(4-methyl-3-pyridinyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 114956901
N-(2-methylcyclopropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361544
N-(4-methylpentan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967670
N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 112671224
N-[(4-methylmorpholin-2-yl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361756

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-trimethyl-1-N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)propane-1,2-diamine?
The IUPAC name of 2-N,2-N,2-trimethyl-1-N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)propane-1,2-diamine (CID 113294236) is 2-N,2-N,2-trimethyl-1-N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,2-trimethyl-1-N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)propane-1,2-diamine?
The canonical SMILES for 2-N,2-N,2-trimethyl-1-N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)propane-1,2-diamine is CN(C)C(C)(C)CNC1=NCC2(CCCC2)CS1.
What is the InChIKey of 2-N,2-N,2-trimethyl-1-N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)propane-1,2-diamine?
The InChIKey is SCERJZYCUMIYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S/c1-13(2,17(3)4)9-15-12-16-10-14(11-18-12)7-5-6-8-14/h5-11H2,1-4H3,(H,15,16).
What are the key properties of 2-N,2-N,2-trimethyl-1-N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)propane-1,2-diamine?
2-N,2-N,2-trimethyl-1-N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)propane-1,2-diamine has a molecular weight of 269.46 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2-trimethyl-1-N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)propane-1,2-diamine is sourced from PubChem (CID 113294236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).