(5R)-2-[(1-butyltetrazol-5-yl)methyl]-9-methyl-2,9-diazaspiro[4.5]decane

C15H28N6 — CID 164638687

IUPAC(5R)-2-[(1-butyltetrazol-5-yl)methyl]-9-methyl-2,9-diazaspiro[4.5]decane
SMILESCCCCn1nnnc1CN1CC[C@@]2(CCCN(C)C2)C1
InChIInChI=1S/C15H28N6/c1-3-4-9-21-14(16-17-18-21)11-20-10-7-15(13-20)6-5-8-19(2)12-15/h3-13H2,1-2H3/t15-/m1/s1
InChIKeyJPYHWMCOAJDCOR-OAHLLOKOSA-N
MW292.43 g/mol
LogP1.39
Rot. Bonds5

About (5R)-2-[(1-butyltetrazol-5-yl)methyl]-9-methyl-2,9-diazaspiro[4.5]decane

(5R)-2-[(1-butyltetrazol-5-yl)methyl]-9-methyl-2,9-diazaspiro[4.5]decane (PubChem CID 164638687) has the molecular formula C15H28N6 and a molecular weight of 292.43 g/mol. Its IUPAC name is (5R)-2-[(1-butyltetrazol-5-yl)methyl]-9-methyl-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5R)-2-[(1-butyltetrazol-5-yl)methyl]-9-methyl-2,9-diazaspiro[4.5]decane
PubChem CID164638687
Molecular FormulaC15H28N6
Molecular Weight292.43 g/mol
Exact Mass292.24
IUPAC Name(5R)-2-[(1-butyltetrazol-5-yl)methyl]-9-methyl-2,9-diazaspiro[4.5]decane
SMILESCCCCn1nnnc1CN1CC[C@@]2(CCCN(C)C2)C1
InChIInChI=1S/C15H28N6/c1-3-4-9-21-14(16-17-18-21)11-20-10-7-15(13-20)6-5-8-19(2)12-15/h3-13H2,1-2H3/t15-/m1/s1
InChIKeyJPYHWMCOAJDCOR-OAHLLOKOSA-N
XLogP1.39
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-[(1-butyltetrazol-5-yl)methyl]-9-methyl-2,9-diazaspiro[4.5]decane?
The IUPAC name of (5R)-2-[(1-butyltetrazol-5-yl)methyl]-9-methyl-2,9-diazaspiro[4.5]decane (CID 164638687) is (5R)-2-[(1-butyltetrazol-5-yl)methyl]-9-methyl-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for (5R)-2-[(1-butyltetrazol-5-yl)methyl]-9-methyl-2,9-diazaspiro[4.5]decane?
The canonical SMILES for (5R)-2-[(1-butyltetrazol-5-yl)methyl]-9-methyl-2,9-diazaspiro[4.5]decane is CCCCn1nnnc1CN1CC[C@@]2(CCCN(C)C2)C1.
What is the InChIKey of (5R)-2-[(1-butyltetrazol-5-yl)methyl]-9-methyl-2,9-diazaspiro[4.5]decane?
The InChIKey is JPYHWMCOAJDCOR-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H28N6/c1-3-4-9-21-14(16-17-18-21)11-20-10-7-15(13-20)6-5-8-19(2)12-15/h3-13H2,1-2H3/t15-/m1/s1.
What are the key properties of (5R)-2-[(1-butyltetrazol-5-yl)methyl]-9-methyl-2,9-diazaspiro[4.5]decane?
(5R)-2-[(1-butyltetrazol-5-yl)methyl]-9-methyl-2,9-diazaspiro[4.5]decane has a molecular weight of 292.43 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-[(1-butyltetrazol-5-yl)methyl]-9-methyl-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 164638687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).