N-[[1-(aminomethyl)cyclopropyl]methyl]-N,2-dimethyloxolan-3-amine

C11H22N2O — CID 82740458

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-N,2-dimethyloxolan-3-amine
SMILESCC1OCCC1N(C)CC1(CN)CC1
InChIInChI=1S/C11H22N2O/c1-9-10(3-6-14-9)13(2)8-11(7-12)4-5-11/h9-10H,3-8,12H2,1-2H3
InChIKeyBWNYREVEOLANBM-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.83
Rot. Bonds4

About N-[[1-(aminomethyl)cyclopropyl]methyl]-N,2-dimethyloxolan-3-amine

N-[[1-(aminomethyl)cyclopropyl]methyl]-N,2-dimethyloxolan-3-amine (PubChem CID 82740458) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-N,2-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-N,2-dimethyloxolan-3-amine
PubChem CID82740458
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-N,2-dimethyloxolan-3-amine
SMILESCC1OCCC1N(C)CC1(CN)CC1
InChIInChI=1S/C11H22N2O/c1-9-10(3-6-14-9)13(2)8-11(7-12)4-5-11/h9-10H,3-8,12H2,1-2H3
InChIKeyBWNYREVEOLANBM-UHFFFAOYSA-N
XLogP0.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[methyl-(2-methyloxolan-3-yl)amino]methyl]cyclobutyl]methanethiol
CID 82744847
[1-[[methyl-(2-methyloxolan-3-yl)amino]methyl]cyclopentyl]methanethiol
CID 82745987
4-[[methyl-(2-methyloxolan-3-yl)amino]methyl]oxan-4-amine
CID 82740558
N,2-dimethyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]oxolan-3-amine
CID 82744009
N,2-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]oxolan-3-amine
CID 82743845
N-[1-(aminomethyl)-3-methylcyclobutyl]-N,2-dimethyloxolan-3-amine
CID 103563096
N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82718003
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,2-dimethyloxolan-3-amine
CID 82743846
N-[1-(aminomethyl)cyclohexyl]-N,2-dimethyloxolan-3-amine
CID 82735395
N',2,2-trimethyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82718331
4-methyl-1-[[methyl-(2-methyloxolan-3-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 82744106
2,2-difluoro-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 165467125

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-N,2-dimethyloxolan-3-amine?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-N,2-dimethyloxolan-3-amine (CID 82740458) is N-[[1-(aminomethyl)cyclopropyl]methyl]-N,2-dimethyloxolan-3-amine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-N,2-dimethyloxolan-3-amine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-N,2-dimethyloxolan-3-amine is CC1OCCC1N(C)CC1(CN)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-N,2-dimethyloxolan-3-amine?
The InChIKey is BWNYREVEOLANBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9-10(3-6-14-9)13(2)8-11(7-12)4-5-11/h9-10H,3-8,12H2,1-2H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-N,2-dimethyloxolan-3-amine?
N-[[1-(aminomethyl)cyclopropyl]methyl]-N,2-dimethyloxolan-3-amine has a molecular weight of 198.31 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-N,2-dimethyloxolan-3-amine is sourced from PubChem (CID 82740458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).