2-N-ethyl-1-N,1-N-dimethyl-2-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]propane-1,2-diamine

C17H37N3O — CID 103191393

IUPAC2-N-ethyl-1-N,1-N-dimethyl-2-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]propane-1,2-diamine
SMILESCCN(CC1(CNC(C)C)CCCOC1)C(C)CN(C)C
InChIInChI=1S/C17H37N3O/c1-7-20(16(4)11-19(5)6)13-17(12-18-15(2)3)9-8-10-21-14-17/h15-16,18H,7-14H2,1-6H3
InChIKeyALAYBRFBETUQHV-UHFFFAOYSA-N
MW299.50 g/mol
LogP2.05
Rot. Bonds9

About 2-N-ethyl-1-N,1-N-dimethyl-2-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]propane-1,2-diamine

2-N-ethyl-1-N,1-N-dimethyl-2-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]propane-1,2-diamine (PubChem CID 103191393) has the molecular formula C17H37N3O and a molecular weight of 299.50 g/mol. Its IUPAC name is 2-N-ethyl-1-N,1-N-dimethyl-2-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N,1-N-dimethyl-2-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]propane-1,2-diamine
PubChem CID103191393
Molecular FormulaC17H37N3O
Molecular Weight299.50 g/mol
Exact Mass299.29
IUPAC Name2-N-ethyl-1-N,1-N-dimethyl-2-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]propane-1,2-diamine
SMILESCCN(CC1(CNC(C)C)CCCOC1)C(C)CN(C)C
InChIInChI=1S/C17H37N3O/c1-7-20(16(4)11-19(5)6)13-17(12-18-15(2)3)9-8-10-21-14-17/h15-16,18H,7-14H2,1-6H3
InChIKeyALAYBRFBETUQHV-UHFFFAOYSA-N
XLogP2.05
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-ethyl-1-N,1-N-dimethyl-2-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]propane-1,2-diamine
CID 103191387
N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-2-amine
CID 63965868
N-methyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 55242043
N-[[3-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 82952450
N-butyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-1-amine
CID 63742061
N-[[3-[[ethyl(2-methoxyethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 55243988
2-N-ethyl-2-N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191325
N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-propylcyclopropanamine
CID 63739769
N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-2-amine
CID 63967172
2-N-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191382
N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]ethane-1,2-diamine
CID 55226596
2-N-[[1-(aminomethyl)cyclopentyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189548

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-1-N,1-N-dimethyl-2-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]propane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N,1-N-dimethyl-2-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]propane-1,2-diamine (CID 103191393) is 2-N-ethyl-1-N,1-N-dimethyl-2-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N,1-N-dimethyl-2-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]propane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N,1-N-dimethyl-2-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]propane-1,2-diamine is CCN(CC1(CNC(C)C)CCCOC1)C(C)CN(C)C.
What is the InChIKey of 2-N-ethyl-1-N,1-N-dimethyl-2-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]propane-1,2-diamine?
The InChIKey is ALAYBRFBETUQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3O/c1-7-20(16(4)11-19(5)6)13-17(12-18-15(2)3)9-8-10-21-14-17/h15-16,18H,7-14H2,1-6H3.
What are the key properties of 2-N-ethyl-1-N,1-N-dimethyl-2-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]propane-1,2-diamine?
2-N-ethyl-1-N,1-N-dimethyl-2-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]propane-1,2-diamine has a molecular weight of 299.50 g/mol, XLogP of 2.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-1-N,1-N-dimethyl-2-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]propane-1,2-diamine is sourced from PubChem (CID 103191393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).