1-cyclopropyl-N',N'-bis(2-ethoxyethyl)-N-methylethane-1,2-diamine

C14H30N2O2 — CID 82965868

IUPAC1-cyclopropyl-N',N'-bis(2-ethoxyethyl)-N-methylethane-1,2-diamine
SMILESCCOCCN(CCOCC)CC(NC)C1CC1
InChIInChI=1S/C14H30N2O2/c1-4-17-10-8-16(9-11-18-5-2)12-14(15-3)13-6-7-13/h13-15H,4-12H2,1-3H3
InChIKeyACFLCHVZYXTGOI-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.36
Rot. Bonds12

About 1-cyclopropyl-N',N'-bis(2-ethoxyethyl)-N-methylethane-1,2-diamine

1-cyclopropyl-N',N'-bis(2-ethoxyethyl)-N-methylethane-1,2-diamine (PubChem CID 82965868) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-cyclopropyl-N',N'-bis(2-ethoxyethyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N',N'-bis(2-ethoxyethyl)-N-methylethane-1,2-diamine
PubChem CID82965868
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name1-cyclopropyl-N',N'-bis(2-ethoxyethyl)-N-methylethane-1,2-diamine
SMILESCCOCCN(CCOCC)CC(NC)C1CC1
InChIInChI=1S/C14H30N2O2/c1-4-17-10-8-16(9-11-18-5-2)12-14(15-3)13-6-7-13/h13-15H,4-12H2,1-3H3
InChIKeyACFLCHVZYXTGOI-UHFFFAOYSA-N
XLogP1.36
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dibutyl-1-cyclopropyl-N-methylethane-1,2-diamine
CID 63912327
N'-[2-cyclopropyl-2-(methylamino)ethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102992594
4-ethoxy-N-methyl-1-(4-methylcyclohexyl)butan-1-amine
CID 105153728
1-N,1-N-bis(2-ethoxyethyl)-2-N,3,3-trimethylbutane-1,2-diamine
CID 82965564
1-cyclopentyl-N'-ethyl-N-methyl-N'-propylethane-1,2-diamine
CID 104744662
N-(1-cyclopropylethyl)-N',N'-bis(2-ethoxyethyl)ethane-1,2-diamine
CID 82965219
1-cyclopropyl-N',N'-bis(2-ethoxyethyl)propane-1,3-diamine
CID 82954187
N'-[2-cyclopentyl-2-(methylamino)ethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102992550
1-cyclohexyl-N-ethyl-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine
CID 104745409
1-cyclopropyl-N-ethyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine
CID 107869640
1-cyclopropyl-N-methylpropan-1-amine
CID 20693438
N',1-dicyclopropyl-N'-ethyl-N-methylethane-1,2-diamine
CID 63913422

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N',N'-bis(2-ethoxyethyl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N',N'-bis(2-ethoxyethyl)-N-methylethane-1,2-diamine (CID 82965868) is 1-cyclopropyl-N',N'-bis(2-ethoxyethyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N',N'-bis(2-ethoxyethyl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N',N'-bis(2-ethoxyethyl)-N-methylethane-1,2-diamine is CCOCCN(CCOCC)CC(NC)C1CC1.
What is the InChIKey of 1-cyclopropyl-N',N'-bis(2-ethoxyethyl)-N-methylethane-1,2-diamine?
The InChIKey is ACFLCHVZYXTGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-4-17-10-8-16(9-11-18-5-2)12-14(15-3)13-6-7-13/h13-15H,4-12H2,1-3H3.
What are the key properties of 1-cyclopropyl-N',N'-bis(2-ethoxyethyl)-N-methylethane-1,2-diamine?
1-cyclopropyl-N',N'-bis(2-ethoxyethyl)-N-methylethane-1,2-diamine has a molecular weight of 258.41 g/mol, XLogP of 1.36, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N',N'-bis(2-ethoxyethyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 82965868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).