4-(3-methylbutyl)-7-propan-2-yl-4,7-diazaspiro[2.5]octane

C14H28N2 — CID 170953709

IUPAC4-(3-methylbutyl)-7-propan-2-yl-4,7-diazaspiro[2.5]octane
SMILESCC(C)CCN1CCN(C(C)C)CC12CC2
InChIInChI=1S/C14H28N2/c1-12(2)5-8-16-10-9-15(13(3)4)11-14(16)6-7-14/h12-13H,5-11H2,1-4H3
InChIKeyMTPQNYQTSLRALJ-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.59
Rot. Bonds4

About 4-(3-methylbutyl)-7-propan-2-yl-4,7-diazaspiro[2.5]octane

4-(3-methylbutyl)-7-propan-2-yl-4,7-diazaspiro[2.5]octane (PubChem CID 170953709) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 4-(3-methylbutyl)-7-propan-2-yl-4,7-diazaspiro[2.5]octane.

Molecular Properties

Compound Name4-(3-methylbutyl)-7-propan-2-yl-4,7-diazaspiro[2.5]octane
PubChem CID170953709
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name4-(3-methylbutyl)-7-propan-2-yl-4,7-diazaspiro[2.5]octane
SMILESCC(C)CCN1CCN(C(C)C)CC12CC2
InChIInChI=1S/C14H28N2/c1-12(2)5-8-16-10-9-15(13(3)4)11-14(16)6-7-14/h12-13H,5-11H2,1-4H3
InChIKeyMTPQNYQTSLRALJ-UHFFFAOYSA-N
XLogP2.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methoxypropyl)-7-propan-2-yl-4,7-diazaspiro[2.5]octane
CID 177159887
3a,6a-dimethyl-2-(3-methylbutyl)-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
CID 144899570
3-(aminomethyl)-N,N-bis(3-methylbutyl)-1-propan-2-ylpyrrolidin-3-amine
CID 107869506
2,2-difluoro-1-(3-methylbutyl)piperidine
CID 89197831
1-ethyl-2-fluoro-2-methyl-4-propan-2-ylpiperazine
CID 171505820
8,8-dimethyl-6-(3-methylbutyl)-6,9-diazaspiro[4.5]decane
CID 64842470
1-ethyl-4-propan-2-ylpiperazine;methane;4-methyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine)
CID 158286556
3-(2-methylpropyl)-1-propan-2-yl-3-propylpyrrolidine
CID 174258805
16-(3-methylbutyl)-8,16-diazadispiro[5.2.59.26]hexadecane
CID 64877449
1-(7-methyloctyl)-4-propan-2-ylpiperazine
CID 168753861
4,4-difluoro-1-(3-methylbutyl)piperidine
CID 20811830
1,6,6-trimethyl-4-propan-2-yl-1,4-diazepane
CID 143841678

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutyl)-7-propan-2-yl-4,7-diazaspiro[2.5]octane?
The IUPAC name of 4-(3-methylbutyl)-7-propan-2-yl-4,7-diazaspiro[2.5]octane (CID 170953709) is 4-(3-methylbutyl)-7-propan-2-yl-4,7-diazaspiro[2.5]octane.
What is the SMILES notation for 4-(3-methylbutyl)-7-propan-2-yl-4,7-diazaspiro[2.5]octane?
The canonical SMILES for 4-(3-methylbutyl)-7-propan-2-yl-4,7-diazaspiro[2.5]octane is CC(C)CCN1CCN(C(C)C)CC12CC2.
What is the InChIKey of 4-(3-methylbutyl)-7-propan-2-yl-4,7-diazaspiro[2.5]octane?
The InChIKey is MTPQNYQTSLRALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-12(2)5-8-16-10-9-15(13(3)4)11-14(16)6-7-14/h12-13H,5-11H2,1-4H3.
What are the key properties of 4-(3-methylbutyl)-7-propan-2-yl-4,7-diazaspiro[2.5]octane?
4-(3-methylbutyl)-7-propan-2-yl-4,7-diazaspiro[2.5]octane has a molecular weight of 224.39 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutyl)-7-propan-2-yl-4,7-diazaspiro[2.5]octane is sourced from PubChem (CID 170953709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).