N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-3-azaspiro[5.5]undecan-9-amine

C17H29N3S — CID 56708019

IUPACN-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-3-azaspiro[5.5]undecan-9-amine
SMILESCc1ncsc1CCCNC1CCC2(CCNCC2)CC1
InChIInChI=1S/C17H29N3S/c1-14-16(21-13-20-14)3-2-10-19-15-4-6-17(7-5-15)8-11-18-12-9-17/h13,15,18-19H,2-12H2,1H3
InChIKeyZSAWGDFULBUQNM-UHFFFAOYSA-N
MW307.51 g/mol
LogP3.29
Rot. Bonds5

About N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-3-azaspiro[5.5]undecan-9-amine

N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-3-azaspiro[5.5]undecan-9-amine (PubChem CID 56708019) has the molecular formula C17H29N3S and a molecular weight of 307.51 g/mol. Its IUPAC name is N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-3-azaspiro[5.5]undecan-9-amine.

Molecular Properties

Compound NameN-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-3-azaspiro[5.5]undecan-9-amine
PubChem CID56708019
Molecular FormulaC17H29N3S
Molecular Weight307.51 g/mol
Exact Mass307.21
IUPAC NameN-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-3-azaspiro[5.5]undecan-9-amine
SMILESCc1ncsc1CCCNC1CCC2(CCNCC2)CC1
InChIInChI=1S/C17H29N3S/c1-14-16(21-13-20-14)3-2-10-19-15-4-6-17(7-5-15)8-11-18-12-9-17/h13,15,18-19H,2-12H2,1H3
InChIKeyZSAWGDFULBUQNM-UHFFFAOYSA-N
XLogP3.29
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-3-azaspiro[5.5]undecan-9-amine?
The IUPAC name of N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-3-azaspiro[5.5]undecan-9-amine (CID 56708019) is N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-3-azaspiro[5.5]undecan-9-amine.
What is the SMILES notation for N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-3-azaspiro[5.5]undecan-9-amine?
The canonical SMILES for N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-3-azaspiro[5.5]undecan-9-amine is Cc1ncsc1CCCNC1CCC2(CCNCC2)CC1.
What is the InChIKey of N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-3-azaspiro[5.5]undecan-9-amine?
The InChIKey is ZSAWGDFULBUQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3S/c1-14-16(21-13-20-14)3-2-10-19-15-4-6-17(7-5-15)8-11-18-12-9-17/h13,15,18-19H,2-12H2,1H3.
What are the key properties of N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-3-azaspiro[5.5]undecan-9-amine?
N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-3-azaspiro[5.5]undecan-9-amine has a molecular weight of 307.51 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-3-azaspiro[5.5]undecan-9-amine is sourced from PubChem (CID 56708019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).