N-methyl-N-(2-methylpentyl)-1,4-dioxaspiro[4.5]decan-8-amine

C15H29NO2 — CID 79120008

IUPACN-methyl-N-(2-methylpentyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCCC(C)CN(C)C1CCC2(CC1)OCCO2
InChIInChI=1S/C15H29NO2/c1-4-5-13(2)12-16(3)14-6-8-15(9-7-14)17-10-11-18-15/h13-14H,4-12H2,1-3H3
InChIKeyMMYQBSKQSYHAPH-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.04
Rot. Bonds5

About N-methyl-N-(2-methylpentyl)-1,4-dioxaspiro[4.5]decan-8-amine

N-methyl-N-(2-methylpentyl)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 79120008) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-methyl-N-(2-methylpentyl)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-methyl-N-(2-methylpentyl)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID79120008
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-methyl-N-(2-methylpentyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCCC(C)CN(C)C1CCC2(CC1)OCCO2
InChIInChI=1S/C15H29NO2/c1-4-5-13(2)12-16(3)14-6-8-15(9-7-14)17-10-11-18-15/h13-14H,4-12H2,1-3H3
InChIKeyMMYQBSKQSYHAPH-UHFFFAOYSA-N
XLogP3.04
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]propan-2-ol
CID 79119752
3-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-2-methylpropanoic acid
CID 65066992
3-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]propane-1,2-diol
CID 82850549
N-hexyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 79120485
1-[1,4-dioxaspiro[4.5]decan-8-yl(2-methylbutyl)amino]propan-2-ol
CID 91468434
N-methyl-N-(1,2-oxazol-5-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 79120082
2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-N,N-diethylpropanamide
CID 79118803
N-but-3-en-2-yl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 79120318
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 79119503
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylbutane-1-sulfonamide
CID 79119564
N-[(2,6-dichlorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 79118637
N-cyclopropyl-2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]acetamide
CID 79120233

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylpentyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-methyl-N-(2-methylpentyl)-1,4-dioxaspiro[4.5]decan-8-amine (CID 79120008) is N-methyl-N-(2-methylpentyl)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-methyl-N-(2-methylpentyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-methyl-N-(2-methylpentyl)-1,4-dioxaspiro[4.5]decan-8-amine is CCCC(C)CN(C)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-methyl-N-(2-methylpentyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is MMYQBSKQSYHAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-5-13(2)12-16(3)14-6-8-15(9-7-14)17-10-11-18-15/h13-14H,4-12H2,1-3H3.
What are the key properties of N-methyl-N-(2-methylpentyl)-1,4-dioxaspiro[4.5]decan-8-amine?
N-methyl-N-(2-methylpentyl)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 255.40 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylpentyl)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 79120008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).