2-N-ethyl-1-N,1-N-dimethyl-2-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]propane-1,2-diamine

C16H35N3O — CID 103191387

IUPAC2-N-ethyl-1-N,1-N-dimethyl-2-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]propane-1,2-diamine
SMILESCCCNCC1(CN(CC)C(C)CN(C)C)CCOC1
InChIInChI=1S/C16H35N3O/c1-6-9-17-12-16(8-10-20-14-16)13-19(7-2)15(3)11-18(4)5/h15,17H,6-14H2,1-5H3
InChIKeyDARMINPDHRCTLJ-UHFFFAOYSA-N
MW285.48 g/mol
LogP1.66
Rot. Bonds10

About 2-N-ethyl-1-N,1-N-dimethyl-2-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]propane-1,2-diamine

2-N-ethyl-1-N,1-N-dimethyl-2-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]propane-1,2-diamine (PubChem CID 103191387) has the molecular formula C16H35N3O and a molecular weight of 285.48 g/mol. Its IUPAC name is 2-N-ethyl-1-N,1-N-dimethyl-2-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N,1-N-dimethyl-2-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]propane-1,2-diamine
PubChem CID103191387
Molecular FormulaC16H35N3O
Molecular Weight285.48 g/mol
Exact Mass285.28
IUPAC Name2-N-ethyl-1-N,1-N-dimethyl-2-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]propane-1,2-diamine
SMILESCCCNCC1(CN(CC)C(C)CN(C)C)CCOC1
InChIInChI=1S/C16H35N3O/c1-6-9-17-12-16(8-10-20-14-16)13-19(7-2)15(3)11-18(4)5/h15,17H,6-14H2,1-5H3
InChIKeyDARMINPDHRCTLJ-UHFFFAOYSA-N
XLogP1.66
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-N-ethyl-1-N,1-N-dimethyl-2-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]propane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1-methoxy-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]propan-2-amine
CID 62257952
N-[[3-[[ethyl(methyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62262903
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
N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]propan-2-amine
CID 62262002
3-[propan-2-yl-[[3-(propylaminomethyl)oxolan-3-yl]methyl]amino]propan-1-ol
CID 62270792
N-[[3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 62258121
2-N-ethyl-2-N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191325
N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopentanamine
CID 55052067
N-methyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclohexanamine
CID 62263421
N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]aniline
CID 62263802
N-ethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine
CID 63483648
N-[[3-(2-propan-2-yloxyethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62719201

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-1-N,1-N-dimethyl-2-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]propane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N,1-N-dimethyl-2-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]propane-1,2-diamine (CID 103191387) is 2-N-ethyl-1-N,1-N-dimethyl-2-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N,1-N-dimethyl-2-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]propane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N,1-N-dimethyl-2-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]propane-1,2-diamine is CCCNCC1(CN(CC)C(C)CN(C)C)CCOC1.
What is the InChIKey of 2-N-ethyl-1-N,1-N-dimethyl-2-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]propane-1,2-diamine?
The InChIKey is DARMINPDHRCTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O/c1-6-9-17-12-16(8-10-20-14-16)13-19(7-2)15(3)11-18(4)5/h15,17H,6-14H2,1-5H3.
What are the key properties of 2-N-ethyl-1-N,1-N-dimethyl-2-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]propane-1,2-diamine?
2-N-ethyl-1-N,1-N-dimethyl-2-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]propane-1,2-diamine has a molecular weight of 285.48 g/mol, XLogP of 1.66, 10 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-(propylaminomethyl)oxolan-3-yl]methyl]propane-1,2-diamine is sourced from PubChem (CID 103191387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).