1-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)-N,N-dimethylmethanamine

C15H29NO2 — CID 142064985

IUPAC1-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1COC2(CCC(C(C)(C)C)CC2)O1
InChIInChI=1S/C15H29NO2/c1-14(2,3)12-6-8-15(9-7-12)17-11-13(18-15)10-16(4)5/h12-13H,6-11H2,1-5H3
InChIKeyYLTZWXGUAQOIMH-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.90
Rot. Bonds2

About 1-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)-N,N-dimethylmethanamine

1-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)-N,N-dimethylmethanamine (PubChem CID 142064985) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)-N,N-dimethylmethanamine
PubChem CID142064985
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1COC2(CCC(C(C)(C)C)CC2)O1
InChIInChI=1S/C15H29NO2/c1-14(2,3)12-6-8-15(9-7-12)17-11-13(18-15)10-16(4)5/h12-13H,6-11H2,1-5H3
InChIKeyYLTZWXGUAQOIMH-UHFFFAOYSA-N
XLogP2.90
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-N-ethylpropan-1-amine;sulfane
CID 174604657
3-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl-(1-hydroxyethyl)amino]prop-1-en-2-ol
CID 169451621
1-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl-ethylamino]-1-hydroxypropan-2-one
CID 169451451
(Z)-1-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl-propylamino]ethene-1,2-diol
CID 169451826
2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(methyl)amino]-2-methylpropan-1-ol
CID 113476285
4-[4-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)butyl]morpholine
CID 14990428
4-[4-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)butyl]-2,6-dimethylmorpholine
CID 14990429
N-ethyl-N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]cyclohexanamine
CID 14990334
(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methanamine
CID 55263052
1-[2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)ethyl]-3-ethylpiperidine
CID 14990401
1-[3-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)propyl]-2-ethylpiperidine
CID 14990477
N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine
CID 79716616

Frequently Asked Questions

What is the IUPAC name of 1-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)-N,N-dimethylmethanamine (CID 142064985) is 1-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)-N,N-dimethylmethanamine is CN(C)CC1COC2(CCC(C(C)(C)C)CC2)O1.
What is the InChIKey of 1-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)-N,N-dimethylmethanamine?
The InChIKey is YLTZWXGUAQOIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-14(2,3)12-6-8-15(9-7-12)17-11-13(18-15)10-16(4)5/h12-13H,6-11H2,1-5H3.
What are the key properties of 1-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)-N,N-dimethylmethanamine?
1-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)-N,N-dimethylmethanamine has a molecular weight of 255.40 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 142064985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).