N-[4-(aminomethyl)-2-methyloxan-4-yl]-N',N'-dimethylethane-1,2-diamine

C11H25N3O — CID 65383114

IUPACN-[4-(aminomethyl)-2-methyloxan-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCC1CC(CN)(NCCN(C)C)CCO1
InChIInChI=1S/C11H25N3O/c1-10-8-11(9-12,4-7-15-10)13-5-6-14(2)3/h10,13H,4-9,12H2,1-3H3
InChIKeyGDYNJDPVJXGSAG-UHFFFAOYSA-N
MW215.34 g/mol
LogP0.03
Rot. Bonds5

About N-[4-(aminomethyl)-2-methyloxan-4-yl]-N',N'-dimethylethane-1,2-diamine

N-[4-(aminomethyl)-2-methyloxan-4-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 65383114) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is N-[4-(aminomethyl)-2-methyloxan-4-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[4-(aminomethyl)-2-methyloxan-4-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID65383114
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC NameN-[4-(aminomethyl)-2-methyloxan-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCC1CC(CN)(NCCN(C)C)CCO1
InChIInChI=1S/C11H25N3O/c1-10-8-11(9-12,4-7-15-10)13-5-6-14(2)3/h10,13H,4-9,12H2,1-3H3
InChIKeyGDYNJDPVJXGSAG-UHFFFAOYSA-N
XLogP0.03
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(aminomethyl)-2-methyloxan-4-yl]amino]propan-1-ol
CID 65378451
4-(aminomethyl)-2-methyl-N-prop-2-enyloxan-4-amine
CID 65384080
N-[1-(aminomethyl)-3-methylcyclobutyl]-N',N'-dimethylethane-1,2-diamine
CID 103562986
N-[1-(aminomethyl)cyclobutyl]-N',N'-dimethylethane-1,2-diamine
CID 79520919
4-(aminomethyl)-N-cycloheptyl-2-methyloxan-4-amine
CID 65379737
3-[2-(dimethylamino)ethylamino]-2-methyloxolane-3-carboxamide
CID 82717987
N-[1-(aminomethyl)-3-methylcyclohexyl]-N',N'-diethylethane-1,2-diamine
CID 65384408
2-[2-methyl-4-(methylamino)oxan-4-yl]acetamide
CID 65236637
4-(aminomethyl)-N-but-3-ynyl-2-propyloxan-4-amine
CID 116641218
ethyl 3-[2-(dimethylamino)ethylamino]-2-methyloxolane-3-carboxylate
CID 82718775
3-(aminomethyl)-N-cyclopropyl-N,2-dimethyloxolan-3-amine
CID 82717506
4-(aminomethyl)-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-methyloxan-4-amine
CID 116699201

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-2-methyloxan-4-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[4-(aminomethyl)-2-methyloxan-4-yl]-N',N'-dimethylethane-1,2-diamine (CID 65383114) is N-[4-(aminomethyl)-2-methyloxan-4-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[4-(aminomethyl)-2-methyloxan-4-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[4-(aminomethyl)-2-methyloxan-4-yl]-N',N'-dimethylethane-1,2-diamine is CC1CC(CN)(NCCN(C)C)CCO1.
What is the InChIKey of N-[4-(aminomethyl)-2-methyloxan-4-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is GDYNJDPVJXGSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-10-8-11(9-12,4-7-15-10)13-5-6-14(2)3/h10,13H,4-9,12H2,1-3H3.
What are the key properties of N-[4-(aminomethyl)-2-methyloxan-4-yl]-N',N'-dimethylethane-1,2-diamine?
N-[4-(aminomethyl)-2-methyloxan-4-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 215.34 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-2-methyloxan-4-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 65383114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).