N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N,2-dimethylbutan-2-amine

C12H26N2O — CID 63965016

IUPACN-[[5-(aminomethyl)oxolan-2-yl]methyl]-N,2-dimethylbutan-2-amine
SMILESCCC(C)(C)N(C)CC1CCC(CN)O1
InChIInChI=1S/C12H26N2O/c1-5-12(2,3)14(4)9-11-7-6-10(8-13)15-11/h10-11H,5-9,13H2,1-4H3
InChIKeyNTYVSIYVVRWECY-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.61
Rot. Bonds5

About N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N,2-dimethylbutan-2-amine

N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N,2-dimethylbutan-2-amine (PubChem CID 63965016) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N,2-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)oxolan-2-yl]methyl]-N,2-dimethylbutan-2-amine
PubChem CID63965016
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-[[5-(aminomethyl)oxolan-2-yl]methyl]-N,2-dimethylbutan-2-amine
SMILESCCC(C)(C)N(C)CC1CCC(CN)O1
InChIInChI=1S/C12H26N2O/c1-5-12(2,3)14(4)9-11-7-6-10(8-13)15-11/h10-11H,5-9,13H2,1-4H3
InChIKeyNTYVSIYVVRWECY-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]butan-2-amine
CID 63965449
N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-methylbutan-2-amine
CID 62419353
N-[[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methyl]-N-methylpropan-2-amine
CID 94435022
N'-[[5-(aminomethyl)oxolan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62436892
1-bromo-N,2-dimethyl-N-[(5-methyloxolan-2-yl)methyl]propan-2-amine
CID 103139985
N-[[(2R)-1,4-dioxan-2-yl]methyl]-N,2-dimethylbutan-2-amine
CID 126515563
3-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclopentan-1-amine
CID 66010514
N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 62419587
N-cyclohexyl-N'-methyl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63966132
(2R,5R)-5-(aminomethyl)-N,N-dimethyloxolane-2-carboxamide
CID 97050721
(2S,5R)-5-(aminomethyl)-N-(3,3-dimethylbutyl)oxolane-2-carboxamide
CID 120785708
1-[5-(aminomethyl)oxolan-2-yl]-4,4-dimethylpentan-1-one
CID 116589055

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N,2-dimethylbutan-2-amine?
The IUPAC name of N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N,2-dimethylbutan-2-amine (CID 63965016) is N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N,2-dimethylbutan-2-amine.
What is the SMILES notation for N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N,2-dimethylbutan-2-amine?
The canonical SMILES for N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N,2-dimethylbutan-2-amine is CCC(C)(C)N(C)CC1CCC(CN)O1.
What is the InChIKey of N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N,2-dimethylbutan-2-amine?
The InChIKey is NTYVSIYVVRWECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-12(2,3)14(4)9-11-7-6-10(8-13)15-11/h10-11H,5-9,13H2,1-4H3.
What are the key properties of N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N,2-dimethylbutan-2-amine?
N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N,2-dimethylbutan-2-amine has a molecular weight of 214.35 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N,2-dimethylbutan-2-amine is sourced from PubChem (CID 63965016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).