N-methyl-1,3-dioxepan-2-amine

C6H13NO2 — CID 146327593

IUPACN-methyl-1,3-dioxepan-2-amine
SMILESCNC1OCCCCO1
InChIInChI=1S/C6H13NO2/c1-7-6-8-4-2-3-5-9-6/h6-7H,2-5H2,1H3
InChIKeyTXXGSXUICVBLLB-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.32
Rot. Bonds1

About N-methyl-1,3-dioxepan-2-amine

N-methyl-1,3-dioxepan-2-amine (PubChem CID 146327593) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is N-methyl-1,3-dioxepan-2-amine.

Molecular Properties

Compound NameN-methyl-1,3-dioxepan-2-amine
PubChem CID146327593
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC NameN-methyl-1,3-dioxepan-2-amine
SMILESCNC1OCCCCO1
InChIInChI=1S/C6H13NO2/c1-7-6-8-4-2-3-5-9-6/h6-7H,2-5H2,1H3
InChIKeyTXXGSXUICVBLLB-UHFFFAOYSA-N
XLogP0.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1,3,5-dioxaphosphinan-2-amine
CID 69469209
(2R,3S)-N,2-dimethyloxan-3-amine
CID 129044536
(1R)-N-methyl-1-[(2S)-oxan-2-yl]ethanamine
CID 144712346
N-methyl-8-[2-(oxan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 114136231
CID 172830117
CID 172830117
2-methyloxane;hydrochloride
CID 141105834
N-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-amine
CID 115300577
1-N-methyl-4-N-(oxolan-2-ylmethyl)cyclohexane-1,4-diamine
CID 117027418
1-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)cyclohexane-1,4-diamine
CID 79122440
methane;2-methyl-1,3-dioxane
CID 144526875
N-methyl-1,3-dioxol-2-amine
CID 141133709
ethane;N-methyl-1-(oxolan-2-yl)methanamine
CID 91079378

Frequently Asked Questions

What is the IUPAC name of N-methyl-1,3-dioxepan-2-amine?
The IUPAC name of N-methyl-1,3-dioxepan-2-amine (CID 146327593) is N-methyl-1,3-dioxepan-2-amine.
What is the SMILES notation for N-methyl-1,3-dioxepan-2-amine?
The canonical SMILES for N-methyl-1,3-dioxepan-2-amine is CNC1OCCCCO1.
What is the InChIKey of N-methyl-1,3-dioxepan-2-amine?
The InChIKey is TXXGSXUICVBLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-7-6-8-4-2-3-5-9-6/h6-7H,2-5H2,1H3.
What are the key properties of N-methyl-1,3-dioxepan-2-amine?
N-methyl-1,3-dioxepan-2-amine has a molecular weight of 131.18 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,3-dioxepan-2-amine is sourced from PubChem (CID 146327593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).