1-N-(2-ethoxyethyl)-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine

C13H30N2O — CID 81058530

IUPAC1-N-(2-ethoxyethyl)-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine
SMILESCCCNC(CN(C)CCOCC)C(C)C
InChIInChI=1S/C13H30N2O/c1-6-8-14-13(12(3)4)11-15(5)9-10-16-7-2/h12-14H,6-11H2,1-5H3
InChIKeyAUCJIPCFBICUNB-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.98
Rot. Bonds10

About 1-N-(2-ethoxyethyl)-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine

1-N-(2-ethoxyethyl)-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine (PubChem CID 81058530) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 1-N-(2-ethoxyethyl)-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-ethoxyethyl)-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine
PubChem CID81058530
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name1-N-(2-ethoxyethyl)-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine
SMILESCCCNC(CN(C)CCOCC)C(C)C
InChIInChI=1S/C13H30N2O/c1-6-8-14-13(12(3)4)11-15(5)9-10-16-7-2/h12-14H,6-11H2,1-5H3
InChIKeyAUCJIPCFBICUNB-UHFFFAOYSA-N
XLogP1.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N,1-N,3-trimethyl-2-N-propylbutane-1,2-diamine
CID 61477298
N'-(2-ethoxyethyl)-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 81068490
1-[2-ethoxyethyl(methyl)amino]pentan-2-ol
CID 81061715
(2S)-2-(2-ethoxyethylamino)-3-methylbutan-1-ol
CID 79250143
1-N,1-N,3-trimethyl-2-N-(2-propoxyethyl)butane-1,2-diamine
CID 106451802
N-(2-ethoxyethyl)-N,2-dimethylbutane-1,4-diamine
CID 81055341
1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-methyl-N-propylethane-1,2-diamine
CID 81037022
3-[2-ethoxyethyl(methyl)amino]-2-(ethylamino)propanenitrile
CID 81061726
(2R)-1-N-ethyl-1-N,3-dimethyl-2-N-propylheptane-1,2-diamine
CID 170444896
1-[2-ethoxyethyl(methyl)amino]-3-methoxypropan-2-ol
CID 62013826
N-(2-ethoxyethyl)-N,2-dimethylpentane-1,5-diamine
CID 104682346
1-chloro-N-(2-ethoxyethyl)-3-methylbutan-2-amine
CID 79244933

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-ethoxyethyl)-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine?
The IUPAC name of 1-N-(2-ethoxyethyl)-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine (CID 81058530) is 1-N-(2-ethoxyethyl)-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine.
What is the SMILES notation for 1-N-(2-ethoxyethyl)-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine?
The canonical SMILES for 1-N-(2-ethoxyethyl)-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine is CCCNC(CN(C)CCOCC)C(C)C.
What is the InChIKey of 1-N-(2-ethoxyethyl)-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine?
The InChIKey is AUCJIPCFBICUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-6-8-14-13(12(3)4)11-15(5)9-10-16-7-2/h12-14H,6-11H2,1-5H3.
What are the key properties of 1-N-(2-ethoxyethyl)-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine?
1-N-(2-ethoxyethyl)-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine has a molecular weight of 230.40 g/mol, XLogP of 1.98, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-ethoxyethyl)-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine is sourced from PubChem (CID 81058530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).