N-[3-(aminomethyl)oxolan-3-yl]-N,1-dimethylpiperidin-4-amine

C12H25N3O — CID 63335656

IUPACN-[3-(aminomethyl)oxolan-3-yl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)C2(CN)CCOC2)CC1
InChIInChI=1S/C12H25N3O/c1-14-6-3-11(4-7-14)15(2)12(9-13)5-8-16-10-12/h11H,3-10,13H2,1-2H3
InChIKeyHEXBEDRWHNBBLP-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.13
Rot. Bonds3

About N-[3-(aminomethyl)oxolan-3-yl]-N,1-dimethylpiperidin-4-amine

N-[3-(aminomethyl)oxolan-3-yl]-N,1-dimethylpiperidin-4-amine (PubChem CID 63335656) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[3-(aminomethyl)oxolan-3-yl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)oxolan-3-yl]-N,1-dimethylpiperidin-4-amine
PubChem CID63335656
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-[3-(aminomethyl)oxolan-3-yl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)C2(CN)CCOC2)CC1
InChIInChI=1S/C12H25N3O/c1-14-6-3-11(4-7-14)15(2)12(9-13)5-8-16-10-12/h11H,3-10,13H2,1-2H3
InChIKeyHEXBEDRWHNBBLP-UHFFFAOYSA-N
XLogP0.13
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)oxan-4-yl]-N,1-dimethylpiperidin-4-amine
CID 54942199
N-[1-(aminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine
CID 79520724
6-(aminomethyl)-N-cyclopropyl-N-methyl-1,4-dioxepan-6-amine
CID 126981781
3-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-methyloxolan-3-amine
CID 63335117
3-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)oxolan-3-amine
CID 63335338
4-(aminomethyl)-1-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)azepan-4-amine
CID 65078650
4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine
CID 65078649
N-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,1-dimethylpiperidin-4-amine
CID 65091731
N-[1-(aminomethyl)cyclohexyl]-N-methyloxan-4-amine
CID 43610982
3-(aminomethyl)-N-(cyclopentylmethyl)-N-methyloxolan-3-amine
CID 63630516
3-(aminomethyl)-N-cyclopropyl-N-(2-methylpropyl)oxolan-3-amine
CID 63335231
3-(aminomethyl)-N-cyclopropyl-N-propyloxolan-3-amine
CID 63335549

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)oxolan-3-yl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[3-(aminomethyl)oxolan-3-yl]-N,1-dimethylpiperidin-4-amine (CID 63335656) is N-[3-(aminomethyl)oxolan-3-yl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[3-(aminomethyl)oxolan-3-yl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[3-(aminomethyl)oxolan-3-yl]-N,1-dimethylpiperidin-4-amine is CN1CCC(N(C)C2(CN)CCOC2)CC1.
What is the InChIKey of N-[3-(aminomethyl)oxolan-3-yl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is HEXBEDRWHNBBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-14-6-3-11(4-7-14)15(2)12(9-13)5-8-16-10-12/h11H,3-10,13H2,1-2H3.
What are the key properties of N-[3-(aminomethyl)oxolan-3-yl]-N,1-dimethylpiperidin-4-amine?
N-[3-(aminomethyl)oxolan-3-yl]-N,1-dimethylpiperidin-4-amine has a molecular weight of 227.35 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)oxolan-3-yl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 63335656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).