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

C13H27N3O — CID 54942199

IUPACN-[4-(aminomethyl)oxan-4-yl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)C2(CN)CCOCC2)CC1
InChIInChI=1S/C13H27N3O/c1-15-7-3-12(4-8-15)16(2)13(11-14)5-9-17-10-6-13/h12H,3-11,14H2,1-2H3
InChIKeyJHALWYRATDJOKM-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.52
Rot. Bonds3

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

N-[4-(aminomethyl)oxan-4-yl]-N,1-dimethylpiperidin-4-amine (PubChem CID 54942199) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]-N,1-dimethylpiperidin-4-amine
PubChem CID54942199
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)C2(CN)CCOCC2)CC1
InChIInChI=1S/C13H27N3O/c1-15-7-3-12(4-8-15)16(2)13(11-14)5-9-17-10-6-13/h12H,3-11,14H2,1-2H3
InChIKeyJHALWYRATDJOKM-UHFFFAOYSA-N
XLogP0.52
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.52
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)cyclobutyl]-N,1-dimethylpiperidin-4-amine
CID 79520724
N-[1-(aminomethyl)cyclohexyl]-N-methyloxan-4-amine
CID 43610982
4-(aminomethyl)-1-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)azepan-4-amine
CID 65078650
N-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,1-dimethylpiperidin-4-amine
CID 65091731
4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine
CID 65078649
6-(aminomethyl)-N-cyclopropyl-N-methyl-1,4-dioxepan-6-amine
CID 126981781
4-(aminomethyl)-N-cyclopropyl-1-ethyl-N-methylpiperidin-4-amine
CID 43264813
3-(aminomethyl)-N-cycloheptyl-N,1-dimethylpyrrolidin-3-amine
CID 62975279
N-[1-(aminomethyl)cyclopropyl]-N-methylcyclohexanamine
CID 106660997
4-(aminomethyl)-1-ethyl-N-methyl-N-(oxolan-3-yl)piperidin-4-amine
CID 82735423
3-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-methyloxolan-3-amine
CID 63335117

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-N,1-dimethylpiperidin-4-amine (CID 54942199) is N-[4-(aminomethyl)oxan-4-yl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]-N,1-dimethylpiperidin-4-amine is CN1CCC(N(C)C2(CN)CCOCC2)CC1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is JHALWYRATDJOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-15-7-3-12(4-8-15)16(2)13(11-14)5-9-17-10-6-13/h12H,3-11,14H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]-N,1-dimethylpiperidin-4-amine?
N-[4-(aminomethyl)oxan-4-yl]-N,1-dimethylpiperidin-4-amine has a molecular weight of 241.38 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)oxan-4-yl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 54942199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).