9-butan-2-yl-1,3,9-triazaspiro[4.5]decane;molecular hydrogen

C11H25N3 — CID 177033701

IUPAC9-butan-2-yl-1,3,9-triazaspiro[4.5]decane;molecular hydrogen
SMILESCCC(C)N1CCCC2(CNCN2)C1.[H][H]
InChIInChI=1S/C11H23N3.H2/c1-3-10(2)14-6-4-5-11(8-14)7-12-9-13-11;/h10,12-13H,3-9H2,1-2H3;1H
InChIKeyJNEBFLXLUPHBLQ-UHFFFAOYSA-N
MW199.34 g/mol
LogP1.02
Rot. Bonds2

About 9-butan-2-yl-1,3,9-triazaspiro[4.5]decane;molecular hydrogen

9-butan-2-yl-1,3,9-triazaspiro[4.5]decane;molecular hydrogen (PubChem CID 177033701) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is 9-butan-2-yl-1,3,9-triazaspiro[4.5]decane;molecular hydrogen.

Molecular Properties

Compound Name9-butan-2-yl-1,3,9-triazaspiro[4.5]decane;molecular hydrogen
PubChem CID177033701
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name9-butan-2-yl-1,3,9-triazaspiro[4.5]decane;molecular hydrogen
SMILESCCC(C)N1CCCC2(CNCN2)C1.[H][H]
InChIInChI=1S/C11H23N3.H2/c1-3-10(2)14-6-4-5-11(8-14)7-12-9-13-11;/h10,12-13H,3-9H2,1-2H3;1H
InChIKeyJNEBFLXLUPHBLQ-UHFFFAOYSA-N
XLogP1.02
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

molecular hydrogen;8-propan-2-yl-1,8-diazaspiro[3.5]nonane
CID 170571753
1,3,9-triazaspiro[4.5]decane-9-carboxamide
CID 175795444
CID 169145668
CID 169145668
11-hexan-2-yl-7,11-diazaspiro[5.6]dodecane
CID 64949563
3,3-dimethyl-1-pentan-2-ylpiperidine
CID 59678340
6-propan-2-yl-1,6-diazaspiro[2.4]heptane
CID 155640500
1-butan-2-yl-4-tert-butyl-4-methylpiperidine
CID 174167928
4-(3,3-dimethylpiperidin-1-yl)-N-ethylpentan-2-amine
CID 64708691
2-butan-2-yl-8-methyl-2,8-diazaspiro[4.5]decane
CID 170581950
1-butan-2-yl-4-[(2-methylpiperidin-2-yl)methyl]piperazine
CID 104595017
5-bromo-1-butan-2-yl-3,3-dimethylazepane
CID 130933849
1-butan-2-yl-4-(3,3-dimethylpiperidin-4-yl)piperazine
CID 117025059

Frequently Asked Questions

What is the IUPAC name of 9-butan-2-yl-1,3,9-triazaspiro[4.5]decane;molecular hydrogen?
The IUPAC name of 9-butan-2-yl-1,3,9-triazaspiro[4.5]decane;molecular hydrogen (CID 177033701) is 9-butan-2-yl-1,3,9-triazaspiro[4.5]decane;molecular hydrogen.
What is the SMILES notation for 9-butan-2-yl-1,3,9-triazaspiro[4.5]decane;molecular hydrogen?
The canonical SMILES for 9-butan-2-yl-1,3,9-triazaspiro[4.5]decane;molecular hydrogen is CCC(C)N1CCCC2(CNCN2)C1.[H][H].
What is the InChIKey of 9-butan-2-yl-1,3,9-triazaspiro[4.5]decane;molecular hydrogen?
The InChIKey is JNEBFLXLUPHBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3.H2/c1-3-10(2)14-6-4-5-11(8-14)7-12-9-13-11;/h10,12-13H,3-9H2,1-2H3;1H.
What are the key properties of 9-butan-2-yl-1,3,9-triazaspiro[4.5]decane;molecular hydrogen?
9-butan-2-yl-1,3,9-triazaspiro[4.5]decane;molecular hydrogen has a molecular weight of 199.34 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-butan-2-yl-1,3,9-triazaspiro[4.5]decane;molecular hydrogen is sourced from PubChem (CID 177033701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).