4-(aminomethyl)-2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]oxan-4-amine

C15H31N3O — CID 79304484

IUPAC4-(aminomethyl)-2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]oxan-4-amine
SMILESCCC1CC(CN)(N(C)CC2CCCN2C)CCO1
InChIInChI=1S/C15H31N3O/c1-4-14-10-15(12-16,7-9-19-14)18(3)11-13-6-5-8-17(13)2/h13-14H,4-12,16H2,1-3H3
InChIKeyKWDTURUUHOFNMV-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.30
Rot. Bonds5

About 4-(aminomethyl)-2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]oxan-4-amine

4-(aminomethyl)-2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]oxan-4-amine (PubChem CID 79304484) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-(aminomethyl)-2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]oxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]oxan-4-amine
PubChem CID79304484
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name4-(aminomethyl)-2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]oxan-4-amine
SMILESCCC1CC(CN)(N(C)CC2CCCN2C)CCO1
InChIInChI=1S/C15H31N3O/c1-4-14-10-15(12-16,7-9-19-14)18(3)11-13-6-5-8-17(13)2/h13-14H,4-12,16H2,1-3H3
InChIKeyKWDTURUUHOFNMV-UHFFFAOYSA-N
XLogP1.30
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thian-4-amine
CID 79303837
1-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]cycloheptan-1-amine
CID 79304256
1-(aminomethyl)-2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine
CID 79303841
1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine
CID 79304129
(2R)-2-ethyl-1-methylpyrrolidine;hydrofluoride
CID 162730747
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
CID 115449103
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine
CID 79304121
N-methyl-1-(1-methylpyrrolidin-2-yl)-N-(oxiran-2-ylmethyl)methanamine
CID 79313818
1-(aminomethyl)-4-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine
CID 79308723
1-(aminomethyl)-N,3-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
CID 61431336
3-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1-sulfonamide
CID 79313720
3-(aminomethyl)-N-(cyclopentylmethyl)-N-methyloxolan-3-amine
CID 63630516

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]oxan-4-amine?
The IUPAC name of 4-(aminomethyl)-2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]oxan-4-amine (CID 79304484) is 4-(aminomethyl)-2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]oxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]oxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]oxan-4-amine is CCC1CC(CN)(N(C)CC2CCCN2C)CCO1.
What is the InChIKey of 4-(aminomethyl)-2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]oxan-4-amine?
The InChIKey is KWDTURUUHOFNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-14-10-15(12-16,7-9-19-14)18(3)11-13-6-5-8-17(13)2/h13-14H,4-12,16H2,1-3H3.
What are the key properties of 4-(aminomethyl)-2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]oxan-4-amine?
4-(aminomethyl)-2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]oxan-4-amine has a molecular weight of 269.43 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]oxan-4-amine is sourced from PubChem (CID 79304484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).