N'-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

C17H37N3O — CID 63740667

IUPACN'-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCCNCC1(CN(CCN(C)C)CC(C)C)CCCOC1
InChIInChI=1S/C17H37N3O/c1-6-18-13-17(8-7-11-21-15-17)14-20(12-16(2)3)10-9-19(4)5/h16,18H,6-15H2,1-5H3
InChIKeyFPZQWJYLRXFDJA-UHFFFAOYSA-N
MW299.50 g/mol
LogP1.91
Rot. Bonds10

About N'-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

N'-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 63740667) has the molecular formula C17H37N3O and a molecular weight of 299.50 g/mol. Its IUPAC name is N'-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID63740667
Molecular FormulaC17H37N3O
Molecular Weight299.50 g/mol
Exact Mass299.29
IUPAC NameN'-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCCNCC1(CN(CCN(C)C)CC(C)C)CCCOC1
InChIInChI=1S/C17H37N3O/c1-6-18-13-17(8-7-11-21-15-17)14-20(12-16(2)3)10-9-19(4)5/h16,18H,6-15H2,1-5H3
InChIKeyFPZQWJYLRXFDJA-UHFFFAOYSA-N
XLogP1.91
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine with MolForge

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Related Compounds

N'-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62257267
N'-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62255885
N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-methylbutan-2-amine
CID 55241656
N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 63493661
N-butan-2-yl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]butan-1-amine
CID 63741075
N-[[3-[[ethyl(propyl)amino]methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 63739766
N-(cyclopropylmethyl)-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]propan-1-amine
CID 63740150
N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 63739653
N'-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63699135
N-butyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-1-amine
CID 63742061
2-[methyl-[[3-[(2-methylpropylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol
CID 104554673
N-[[3-[[bis(prop-2-enyl)amino]methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 63741895

Frequently Asked Questions

What is the IUPAC name of N'-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (CID 63740667) is N'-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is CCNCC1(CN(CCN(C)C)CC(C)C)CCCOC1.
What is the InChIKey of N'-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is FPZQWJYLRXFDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3O/c1-6-18-13-17(8-7-11-21-15-17)14-20(12-16(2)3)10-9-19(4)5/h16,18H,6-15H2,1-5H3.
What are the key properties of N'-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
N'-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 299.50 g/mol, XLogP of 1.91, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 63740667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).