6-(aminomethyl)-N-cyclopropyl-N-methyl-1,4-dioxepan-6-amine

C10H20N2O2 — CID 126981781

IUPAC6-(aminomethyl)-N-cyclopropyl-N-methyl-1,4-dioxepan-6-amine
SMILESCN(C1CC1)C1(CN)COCCOC1
InChIInChI=1S/C10H20N2O2/c1-12(9-2-3-9)10(6-11)7-13-4-5-14-8-10/h9H,2-8,11H2,1H3
InChIKeyYTNOSDARPSYJCO-UHFFFAOYSA-N
MW200.28 g/mol
LogP-0.18
Rot. Bonds3

About 6-(aminomethyl)-N-cyclopropyl-N-methyl-1,4-dioxepan-6-amine

6-(aminomethyl)-N-cyclopropyl-N-methyl-1,4-dioxepan-6-amine (PubChem CID 126981781) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 6-(aminomethyl)-N-cyclopropyl-N-methyl-1,4-dioxepan-6-amine.

Molecular Properties

Compound Name6-(aminomethyl)-N-cyclopropyl-N-methyl-1,4-dioxepan-6-amine
PubChem CID126981781
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name6-(aminomethyl)-N-cyclopropyl-N-methyl-1,4-dioxepan-6-amine
SMILESCN(C1CC1)C1(CN)COCCOC1
InChIInChI=1S/C10H20N2O2/c1-12(9-2-3-9)10(6-11)7-13-4-5-14-8-10/h9H,2-8,11H2,1H3
InChIKeyYTNOSDARPSYJCO-UHFFFAOYSA-N
XLogP-0.18
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)oxolan-3-yl]-N,1-dimethylpiperidin-4-amine
CID 63335656
N-[1-(aminomethyl)cyclohexyl]-N-methyloxan-4-amine
CID 43610982
3-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)oxolan-3-amine
CID 63335338
3-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-methyloxolan-3-amine
CID 63335117
6-(aminomethyl)-N-methyl-N-propan-2-yl-1,4-dioxepan-6-amine
CID 130559595
N-[4-(aminomethyl)oxan-4-yl]-N,1-dimethylpiperidin-4-amine
CID 54942199
3-(aminomethyl)-N-cyclopropyl-N-(2-methylpropyl)oxolan-3-amine
CID 63335231
3-(aminomethyl)-N-cyclopropyl-N-propyloxolan-3-amine
CID 63335549
N-[1-(aminomethyl)cyclopropyl]-N-methylcyclohexanamine
CID 106660997
3-(aminomethyl)-N-cyclopropyl-N,2-dimethyloxolan-3-amine
CID 82717506
3-(aminomethyl)-N-(cyclopentylmethyl)-N-methyloxolan-3-amine
CID 63630516
4-(aminomethyl)-N-cyclopropyl-1-ethyl-N-methylpiperidin-4-amine
CID 43264813

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-N-cyclopropyl-N-methyl-1,4-dioxepan-6-amine?
The IUPAC name of 6-(aminomethyl)-N-cyclopropyl-N-methyl-1,4-dioxepan-6-amine (CID 126981781) is 6-(aminomethyl)-N-cyclopropyl-N-methyl-1,4-dioxepan-6-amine.
What is the SMILES notation for 6-(aminomethyl)-N-cyclopropyl-N-methyl-1,4-dioxepan-6-amine?
The canonical SMILES for 6-(aminomethyl)-N-cyclopropyl-N-methyl-1,4-dioxepan-6-amine is CN(C1CC1)C1(CN)COCCOC1.
What is the InChIKey of 6-(aminomethyl)-N-cyclopropyl-N-methyl-1,4-dioxepan-6-amine?
The InChIKey is YTNOSDARPSYJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-12(9-2-3-9)10(6-11)7-13-4-5-14-8-10/h9H,2-8,11H2,1H3.
What are the key properties of 6-(aminomethyl)-N-cyclopropyl-N-methyl-1,4-dioxepan-6-amine?
6-(aminomethyl)-N-cyclopropyl-N-methyl-1,4-dioxepan-6-amine has a molecular weight of 200.28 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-N-cyclopropyl-N-methyl-1,4-dioxepan-6-amine is sourced from PubChem (CID 126981781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).