N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-3-azaspiro[5.5]undecan-9-amine

C17H29N3S — CID 56711769

IUPACN-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-3-azaspiro[5.5]undecan-9-amine
SMILESCC(C)c1nc(CNC2CCC3(CCNCC3)CC2)cs1
InChIInChI=1S/C17H29N3S/c1-13(2)16-20-15(12-21-16)11-19-14-3-5-17(6-4-14)7-9-18-10-8-17/h12-14,18-19H,3-11H2,1-2H3
InChIKeyVAZJAPRVPULRKR-UHFFFAOYSA-N
MW307.51 g/mol
LogP3.67
Rot. Bonds4

About N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-3-azaspiro[5.5]undecan-9-amine

N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-3-azaspiro[5.5]undecan-9-amine (PubChem CID 56711769) has the molecular formula C17H29N3S and a molecular weight of 307.51 g/mol. Its IUPAC name is N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-3-azaspiro[5.5]undecan-9-amine.

Molecular Properties

Compound NameN-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-3-azaspiro[5.5]undecan-9-amine
PubChem CID56711769
Molecular FormulaC17H29N3S
Molecular Weight307.51 g/mol
Exact Mass307.21
IUPAC NameN-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-3-azaspiro[5.5]undecan-9-amine
SMILESCC(C)c1nc(CNC2CCC3(CCNCC3)CC2)cs1
InChIInChI=1S/C17H29N3S/c1-13(2)16-20-15(12-21-16)11-19-14-3-5-17(6-4-14)7-9-18-10-8-17/h12-14,18-19H,3-11H2,1-2H3
InChIKeyVAZJAPRVPULRKR-UHFFFAOYSA-N
XLogP3.67
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-3-azaspiro[5.5]undecan-9-amine?
The IUPAC name of N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-3-azaspiro[5.5]undecan-9-amine (CID 56711769) is N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-3-azaspiro[5.5]undecan-9-amine.
What is the SMILES notation for N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-3-azaspiro[5.5]undecan-9-amine?
The canonical SMILES for N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-3-azaspiro[5.5]undecan-9-amine is CC(C)c1nc(CNC2CCC3(CCNCC3)CC2)cs1.
What is the InChIKey of N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-3-azaspiro[5.5]undecan-9-amine?
The InChIKey is VAZJAPRVPULRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3S/c1-13(2)16-20-15(12-21-16)11-19-14-3-5-17(6-4-14)7-9-18-10-8-17/h12-14,18-19H,3-11H2,1-2H3.
What are the key properties of N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-3-azaspiro[5.5]undecan-9-amine?
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-3-azaspiro[5.5]undecan-9-amine has a molecular weight of 307.51 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-3-azaspiro[5.5]undecan-9-amine is sourced from PubChem (CID 56711769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).