7-(4-methyl-1,4-diazepan-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine

C14H27N3O2 — CID 43211400

IUPAC7-(4-methyl-1,4-diazepan-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN1CCCN(C2CC3(CCC2N)OCCO3)CC1
InChIInChI=1S/C14H27N3O2/c1-16-5-2-6-17(8-7-16)13-11-14(4-3-12(13)15)18-9-10-19-14/h12-13H,2-11,15H2,1H3
InChIKeyCGJFEMHQPCVZTB-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.25
Rot. Bonds1

About 7-(4-methyl-1,4-diazepan-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine

7-(4-methyl-1,4-diazepan-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 43211400) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 7-(4-methyl-1,4-diazepan-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name7-(4-methyl-1,4-diazepan-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID43211400
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name7-(4-methyl-1,4-diazepan-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN1CCCN(C2CC3(CCC2N)OCCO3)CC1
InChIInChI=1S/C14H27N3O2/c1-16-5-2-6-17(8-7-16)13-11-14(4-3-12(13)15)18-9-10-19-14/h12-13H,2-11,15H2,1H3
InChIKeyCGJFEMHQPCVZTB-UHFFFAOYSA-N
XLogP0.25
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(4,4-dimethylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 55156891
7-(4-tert-butylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 62090199
7-(3,4,5-trimethylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 114537727
7-(4-propylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 62200558
7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 104958510
(7S,8S)-7-pyrrolidin-1-yl-1,4-dioxaspiro[4.5]decan-8-ol
CID 15177770
7-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43628167
2-(4-methylpiperazin-1-yl)cyclododecan-1-amine
CID 16790088
[2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]methanamine
CID 43293580
(8R)-1,4-dioxaspiro[4.4]nonan-8-amine
CID 95431886
N-methyl-7-(3,3,4-trimethylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 63608607
7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 79931334

Frequently Asked Questions

What is the IUPAC name of 7-(4-methyl-1,4-diazepan-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 7-(4-methyl-1,4-diazepan-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine (CID 43211400) is 7-(4-methyl-1,4-diazepan-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 7-(4-methyl-1,4-diazepan-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 7-(4-methyl-1,4-diazepan-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine is CN1CCCN(C2CC3(CCC2N)OCCO3)CC1.
What is the InChIKey of 7-(4-methyl-1,4-diazepan-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is CGJFEMHQPCVZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-16-5-2-6-17(8-7-16)13-11-14(4-3-12(13)15)18-9-10-19-14/h12-13H,2-11,15H2,1H3.
What are the key properties of 7-(4-methyl-1,4-diazepan-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
7-(4-methyl-1,4-diazepan-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 269.39 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methyl-1,4-diazepan-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 43211400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).