2-(2,2-dimethylpropyl)-N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine

C13H30N2O — CID 107473280

IUPAC2-(2,2-dimethylpropyl)-N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine
SMILESCCN(CCOC)CC(CN)CC(C)(C)C
InChIInChI=1S/C13H30N2O/c1-6-15(7-8-16-5)11-12(10-14)9-13(2,3)4/h12H,6-11,14H2,1-5H3
InChIKeyFGAUFQLZKDVMDT-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.97
Rot. Bonds8

About 2-(2,2-dimethylpropyl)-N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine

2-(2,2-dimethylpropyl)-N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine (PubChem CID 107473280) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine
PubChem CID107473280
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name2-(2,2-dimethylpropyl)-N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine
SMILESCCN(CCOC)CC(CN)CC(C)(C)C
InChIInChI=1S/C13H30N2O/c1-6-15(7-8-16-5)11-12(10-14)9-13(2,3)4/h12H,6-11,14H2,1-5H3
InChIKeyFGAUFQLZKDVMDT-UHFFFAOYSA-N
XLogP1.97
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,2-dimethylpropyl)-N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine with MolForge

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Related Compounds

2-(2,2-dimethylpropyl)-N',N'-bis(2-methoxyethyl)propane-1,3-diamine
CID 107473244
1-amino-3-[ethyl(2-methoxyethyl)amino]propan-2-ol
CID 61447893
(2S)-1-N-ethyl-1-N-(2-methoxyethyl)propane-1,2-diamine
CID 103934538
(2R)-1-[ethyl(2-methoxyethyl)amino]propan-2-ol
CID 103935037
1-N-ethyl-1-N-(2-methoxyethyl)-4-methylpentane-1,2-diamine
CID 61447801
N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine
CID 43137192
methyl 2-bromo-3-[ethyl(2-methoxyethyl)amino]propanoate
CID 81099300
3-[ethyl(2-methoxyethyl)amino]-2-methylpropanenitrile
CID 61448617
1-N-ethyl-1-N-(2-methoxyethyl)-2-N-methylbutane-1,2-diamine
CID 62038439
2-ethyl-N'-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 82951118
ethane;N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 143133671
N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 59535628

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine?
The IUPAC name of 2-(2,2-dimethylpropyl)-N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine (CID 107473280) is 2-(2,2-dimethylpropyl)-N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine is CCN(CCOC)CC(CN)CC(C)(C)C.
What is the InChIKey of 2-(2,2-dimethylpropyl)-N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine?
The InChIKey is FGAUFQLZKDVMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-6-15(7-8-16-5)11-12(10-14)9-13(2,3)4/h12H,6-11,14H2,1-5H3.
What are the key properties of 2-(2,2-dimethylpropyl)-N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine?
2-(2,2-dimethylpropyl)-N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine has a molecular weight of 230.40 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine is sourced from PubChem (CID 107473280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).