6-(aminomethyl)-N-methyl-N-propan-2-yl-1,4-dioxepan-6-amine

C10H22N2O2 — CID 130559595

IUPAC6-(aminomethyl)-N-methyl-N-propan-2-yl-1,4-dioxepan-6-amine
SMILESCC(C)N(C)C1(CN)COCCOC1
InChIInChI=1S/C10H22N2O2/c1-9(2)12(3)10(6-11)7-13-4-5-14-8-10/h9H,4-8,11H2,1-3H3
InChIKeyOAYACODNIXDUPR-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.07
Rot. Bonds3

About 6-(aminomethyl)-N-methyl-N-propan-2-yl-1,4-dioxepan-6-amine

6-(aminomethyl)-N-methyl-N-propan-2-yl-1,4-dioxepan-6-amine (PubChem CID 130559595) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 6-(aminomethyl)-N-methyl-N-propan-2-yl-1,4-dioxepan-6-amine.

Molecular Properties

Compound Name6-(aminomethyl)-N-methyl-N-propan-2-yl-1,4-dioxepan-6-amine
PubChem CID130559595
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name6-(aminomethyl)-N-methyl-N-propan-2-yl-1,4-dioxepan-6-amine
SMILESCC(C)N(C)C1(CN)COCCOC1
InChIInChI=1S/C10H22N2O2/c1-9(2)12(3)10(6-11)7-13-4-5-14-8-10/h9H,4-8,11H2,1-3H3
InChIKeyOAYACODNIXDUPR-UHFFFAOYSA-N
XLogP0.07
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(aminomethyl)-N-methyl-N-propan-2-yl-1,4-dioxepan-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Tert-butyl-4-(1,4-dioxepan-6-yl)piperazine
CID 138743089
2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-2-methylpropane-1,2-diamine
CID 61592503
2-N-ethyl-3-methoxy-2-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 62534159
3-methoxy-2-N-(2-methoxyethyl)-2-N,2-dimethylpropane-1,2-diamine
CID 62534550
3-methoxy-2-N,2-dimethyl-2-N-propan-2-ylpropane-1,2-diamine
CID 62534913
2-N-ethyl-3-methoxy-2-N-(2-methoxyethyl)-2-methylpropane-1,2-diamine
CID 62535498
3-methoxy-2-N-(1-methoxypropan-2-yl)-2-N,2-dimethylpropane-1,2-diamine
CID 62535687
3-methoxy-2-N,2-N-bis(2-methoxyethyl)-2-methylpropane-1,2-diamine
CID 62536077
2-N-butan-2-yl-3-methoxy-2-N-(2-methoxyethyl)-2-methylpropane-1,2-diamine
CID 62536455
3-methoxy-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-2-methylpropane-1,2-diamine
CID 62536650
2-N-ethyl-3-methoxy-2-N-(1-methoxypropan-2-yl)-2-methylpropane-1,2-diamine
CID 62536838
3-Methoxy-2-methyl-2-(1,4-oxazepan-4-yl)propan-1-amine
CID 62986372

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-N-methyl-N-propan-2-yl-1,4-dioxepan-6-amine?
The IUPAC name of 6-(aminomethyl)-N-methyl-N-propan-2-yl-1,4-dioxepan-6-amine (CID 130559595) is 6-(aminomethyl)-N-methyl-N-propan-2-yl-1,4-dioxepan-6-amine.
What is the SMILES notation for 6-(aminomethyl)-N-methyl-N-propan-2-yl-1,4-dioxepan-6-amine?
The canonical SMILES for 6-(aminomethyl)-N-methyl-N-propan-2-yl-1,4-dioxepan-6-amine is CC(C)N(C)C1(CN)COCCOC1.
What is the InChIKey of 6-(aminomethyl)-N-methyl-N-propan-2-yl-1,4-dioxepan-6-amine?
The InChIKey is OAYACODNIXDUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-9(2)12(3)10(6-11)7-13-4-5-14-8-10/h9H,4-8,11H2,1-3H3.
What are the key properties of 6-(aminomethyl)-N-methyl-N-propan-2-yl-1,4-dioxepan-6-amine?
6-(aminomethyl)-N-methyl-N-propan-2-yl-1,4-dioxepan-6-amine has a molecular weight of 202.30 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-N-methyl-N-propan-2-yl-1,4-dioxepan-6-amine is sourced from PubChem (CID 130559595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).