3-methyl-N-[2-[(4,4,8-trimethyl-1-thia-3-azaspiro[4.5]decan-2-ylidene)amino]ethyl]pyridin-2-amine

C19H30N4S — CID 137316360

IUPAC3-methyl-N-[2-[(4,4,8-trimethyl-1-thia-3-azaspiro[4.5]decan-2-ylidene)amino]ethyl]pyridin-2-amine
SMILESCc1cccnc1NCC/N=C1/NC(C)(C)C2(CCC(C)CC2)S1
InChIInChI=1S/C19H30N4S/c1-14-7-9-19(10-8-14)18(3,4)23-17(24-19)22-13-12-21-16-15(2)6-5-11-20-16/h5-6,11,14H,7-10,12-13H2,1-4H3,(H,20,21)(H,22,23)
InChIKeySSOJGTCWEVHOID-UHFFFAOYSA-N
MW346.54 g/mol
LogP4.22
Rot. Bonds4

About 3-methyl-N-[2-[(4,4,8-trimethyl-1-thia-3-azaspiro[4.5]decan-2-ylidene)amino]ethyl]pyridin-2-amine

3-methyl-N-[2-[(4,4,8-trimethyl-1-thia-3-azaspiro[4.5]decan-2-ylidene)amino]ethyl]pyridin-2-amine (PubChem CID 137316360) has the molecular formula C19H30N4S and a molecular weight of 346.54 g/mol. Its IUPAC name is 3-methyl-N-[2-[(4,4,8-trimethyl-1-thia-3-azaspiro[4.5]decan-2-ylidene)amino]ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-methyl-N-[2-[(4,4,8-trimethyl-1-thia-3-azaspiro[4.5]decan-2-ylidene)amino]ethyl]pyridin-2-amine
PubChem CID137316360
Molecular FormulaC19H30N4S
Molecular Weight346.54 g/mol
Exact Mass346.22
IUPAC Name3-methyl-N-[2-[(4,4,8-trimethyl-1-thia-3-azaspiro[4.5]decan-2-ylidene)amino]ethyl]pyridin-2-amine
SMILESCc1cccnc1NCC/N=C1/NC(C)(C)C2(CCC(C)CC2)S1
InChIInChI=1S/C19H30N4S/c1-14-7-9-19(10-8-14)18(3,4)23-17(24-19)22-13-12-21-16-15(2)6-5-11-20-16/h5-6,11,14H,7-10,12-13H2,1-4H3,(H,20,21)(H,22,23)
InChIKeySSOJGTCWEVHOID-UHFFFAOYSA-N
XLogP4.22
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[5-(7-Aza-bicyclo[2.2.1]hept-2-yl)-pyridin-2-yl]-dimethyl-amine
CID 44299206
4-(1-amino-3-phenylpropyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 49786812
4,4,8-trimethyl-N-(2-pyridin-3-ylethyl)-1-thia-3-azaspiro[4.5]decan-2-imine
CID 137303194
1-[5-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-2-pyridinyl]-2-propylguanidine;dihydrochloride
CID 162648277
1-[4-[[6-(4,5-dihydro-1H-imidazol-2-ylamino)-3-pyridinyl]methyl]phenyl]-2-propylguanidine;dihydrochloride
CID 162667066
2-[4-[[6-(4,5-dihydro-1H-imidazol-2-ylamino)-3-pyridinyl]methyl]phenyl]guanidine;dihydrochloride
CID 162674097
2-[5-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-2-pyridinyl]guanidine;dihydrochloride
CID 162676747
3-(Methyl(5-phenylpyridin-2-yl)amino)pyrrolidine-1-carbonitrile
CID 134400056
N-[(1-phenylcyclopentyl)methyl]pyridin-2-amine
CID 755102
4,4,8-trimethyl-N-(2-pyridin-2-ylethyl)-1-thia-3-azaspiro[4.5]decan-2-imine
CID 137289816
4,4,8-trimethyl-N-(pyridin-4-ylmethyl)-1-thia-3-azaspiro[4.5]decan-2-imine
CID 137289936
4,4,8-trimethyl-N-(pyridin-3-ylmethyl)-1-thia-3-azaspiro[4.5]decan-2-imine
CID 137314463

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[(4,4,8-trimethyl-1-thia-3-azaspiro[4.5]decan-2-ylidene)amino]ethyl]pyridin-2-amine?
The IUPAC name of 3-methyl-N-[2-[(4,4,8-trimethyl-1-thia-3-azaspiro[4.5]decan-2-ylidene)amino]ethyl]pyridin-2-amine (CID 137316360) is 3-methyl-N-[2-[(4,4,8-trimethyl-1-thia-3-azaspiro[4.5]decan-2-ylidene)amino]ethyl]pyridin-2-amine.
What is the SMILES notation for 3-methyl-N-[2-[(4,4,8-trimethyl-1-thia-3-azaspiro[4.5]decan-2-ylidene)amino]ethyl]pyridin-2-amine?
The canonical SMILES for 3-methyl-N-[2-[(4,4,8-trimethyl-1-thia-3-azaspiro[4.5]decan-2-ylidene)amino]ethyl]pyridin-2-amine is Cc1cccnc1NCC/N=C1/NC(C)(C)C2(CCC(C)CC2)S1.
What is the InChIKey of 3-methyl-N-[2-[(4,4,8-trimethyl-1-thia-3-azaspiro[4.5]decan-2-ylidene)amino]ethyl]pyridin-2-amine?
The InChIKey is SSOJGTCWEVHOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4S/c1-14-7-9-19(10-8-14)18(3,4)23-17(24-19)22-13-12-21-16-15(2)6-5-11-20-16/h5-6,11,14H,7-10,12-13H2,1-4H3,(H,20,21)(H,22,23).
What are the key properties of 3-methyl-N-[2-[(4,4,8-trimethyl-1-thia-3-azaspiro[4.5]decan-2-ylidene)amino]ethyl]pyridin-2-amine?
3-methyl-N-[2-[(4,4,8-trimethyl-1-thia-3-azaspiro[4.5]decan-2-ylidene)amino]ethyl]pyridin-2-amine has a molecular weight of 346.54 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[(4,4,8-trimethyl-1-thia-3-azaspiro[4.5]decan-2-ylidene)amino]ethyl]pyridin-2-amine is sourced from PubChem (CID 137316360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).