2-methyl-1-N-[(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]propane-1,2-diamine

C14H28N2O2 — CID 171536699

IUPAC2-methyl-1-N-[(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]propane-1,2-diamine
SMILESCC(C)(N)CNCC1(C)CCC2(CC1)OCCO2
InChIInChI=1S/C14H28N2O2/c1-12(2,15)10-16-11-13(3)4-6-14(7-5-13)17-8-9-18-14/h16H,4-11,15H2,1-3H3
InChIKeyZZDSUVCZOGEWPE-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.64
Rot. Bonds4

About 2-methyl-1-N-[(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]propane-1,2-diamine

2-methyl-1-N-[(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]propane-1,2-diamine (PubChem CID 171536699) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-methyl-1-N-[(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-1-N-[(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]propane-1,2-diamine
PubChem CID171536699
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-methyl-1-N-[(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]propane-1,2-diamine
SMILESCC(C)(N)CNCC1(C)CCC2(CC1)OCCO2
InChIInChI=1S/C14H28N2O2/c1-12(2,15)10-16-11-13(3)4-6-14(7-5-13)17-8-9-18-14/h16H,4-11,15H2,1-3H3
InChIKeyZZDSUVCZOGEWPE-UHFFFAOYSA-N
XLogP1.64
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-N-[(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]propane-1,2-diamine with MolForge

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Related Compounds

8-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 21134196
(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methanol
CID 12568263
tert-butyl N-[(8-amino-1,4-dioxaspiro[4.5]decan-8-yl)methyl]carbamate
CID 146152334
2,2-dimethyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine
CID 115426986
8-amino-1,4-dioxaspiro[4.5]decane-8-carboxylic acid;hydrochloride
CID 155675545
2-methyl-1-[(1-methylcyclobutyl)methylamino]propan-2-ol
CID 103734842
2-methyl-2-[[(1-methylcyclopropyl)methylamino]methyl]butan-1-ol
CID 107166672
8-(methylaminomethyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 165465927
1-cyclopropyl-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724422
2-methyl-2-[[(1-methylcyclopentyl)methylamino]methyl]butan-1-ol
CID 81418444
N-[(1-methylcyclopropyl)methyl]propan-1-amine
CID 66025109
ethane;8-methyl-1,4-dioxaspiro[4.5]decan-8-ol
CID 143931263

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-N-[(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]propane-1,2-diamine?
The IUPAC name of 2-methyl-1-N-[(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]propane-1,2-diamine (CID 171536699) is 2-methyl-1-N-[(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for 2-methyl-1-N-[(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]propane-1,2-diamine?
The canonical SMILES for 2-methyl-1-N-[(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]propane-1,2-diamine is CC(C)(N)CNCC1(C)CCC2(CC1)OCCO2.
What is the InChIKey of 2-methyl-1-N-[(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]propane-1,2-diamine?
The InChIKey is ZZDSUVCZOGEWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-12(2,15)10-16-11-13(3)4-6-14(7-5-13)17-8-9-18-14/h16H,4-11,15H2,1-3H3.
What are the key properties of 2-methyl-1-N-[(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]propane-1,2-diamine?
2-methyl-1-N-[(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]propane-1,2-diamine has a molecular weight of 256.39 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-N-[(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 171536699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).