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

C13H30N2O — CID 63692329

IUPAC3-N-(2-ethoxyethyl)-3-N-ethyl-1-N-propylbutane-1,3-diamine
SMILESCCCNCCC(C)N(CC)CCOCC
InChIInChI=1S/C13H30N2O/c1-5-9-14-10-8-13(4)15(6-2)11-12-16-7-3/h13-14H,5-12H2,1-4H3
InChIKeySNHZUKGVDYFJQQ-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.12
Rot. Bonds11

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

3-N-(2-ethoxyethyl)-3-N-ethyl-1-N-propylbutane-1,3-diamine (PubChem CID 63692329) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 3-N-(2-ethoxyethyl)-3-N-ethyl-1-N-propylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-ethoxyethyl)-3-N-ethyl-1-N-propylbutane-1,3-diamine
PubChem CID63692329
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name3-N-(2-ethoxyethyl)-3-N-ethyl-1-N-propylbutane-1,3-diamine
SMILESCCCNCCC(C)N(CC)CCOCC
InChIInChI=1S/C13H30N2O/c1-5-9-14-10-8-13(4)15(6-2)11-12-16-7-3/h13-14H,5-12H2,1-4H3
InChIKeySNHZUKGVDYFJQQ-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.12
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

3-N-(2-ethoxyethyl)-3-N-ethylbutane-1,3-diamine
CID 63698411
2-N,2-N-bis(2-ethoxyethyl)-3-methyl-1-N-propylbutane-1,2-diamine
CID 82952256
3-N-ethyl-3-N-(2-methoxyethyl)-1-N-(2-methylpropyl)butane-1,3-diamine
CID 62437184
N-(2-ethoxyethyl)-N-ethyl-2-methyl-N'-propylpropane-1,3-diamine
CID 63691778
2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 63691618
3-N,3-N-bis(2-methylpropyl)-1-N-propylbutane-1,3-diamine
CID 55073718
3-N-butyl-1-N,3-N-diethylbutane-1,3-diamine
CID 62425173
3-N-(cyclopropylmethyl)-3-N-ethyl-1-N-propylbutane-1,3-diamine
CID 63940082
3-N-ethyl-3-N-(2-methylprop-2-enyl)-1-N-propylbutane-1,3-diamine
CID 62417278
N-(2-ethoxyethyl)propan-1-amine;methane
CID 157152444
N'-ethyl-N'-(1-methoxypropan-2-yl)-N-propylbutane-1,4-diamine
CID 62426328
4-[2-ethoxyethyl(ethyl)amino]pentan-2-one
CID 64696903

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-ethoxyethyl)-3-N-ethyl-1-N-propylbutane-1,3-diamine?
The IUPAC name of 3-N-(2-ethoxyethyl)-3-N-ethyl-1-N-propylbutane-1,3-diamine (CID 63692329) is 3-N-(2-ethoxyethyl)-3-N-ethyl-1-N-propylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(2-ethoxyethyl)-3-N-ethyl-1-N-propylbutane-1,3-diamine?
The canonical SMILES for 3-N-(2-ethoxyethyl)-3-N-ethyl-1-N-propylbutane-1,3-diamine is CCCNCCC(C)N(CC)CCOCC.
What is the InChIKey of 3-N-(2-ethoxyethyl)-3-N-ethyl-1-N-propylbutane-1,3-diamine?
The InChIKey is SNHZUKGVDYFJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-5-9-14-10-8-13(4)15(6-2)11-12-16-7-3/h13-14H,5-12H2,1-4H3.
What are the key properties of 3-N-(2-ethoxyethyl)-3-N-ethyl-1-N-propylbutane-1,3-diamine?
3-N-(2-ethoxyethyl)-3-N-ethyl-1-N-propylbutane-1,3-diamine has a molecular weight of 230.40 g/mol, XLogP of 2.12, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-ethoxyethyl)-3-N-ethyl-1-N-propylbutane-1,3-diamine is sourced from PubChem (CID 63692329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).