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

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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).