1-N-cyclopropyl-3-N-(2-ethoxyethyl)-3-N-methylbutane-1,3-diamine

C12H26N2O — CID 81074188

IUPAC1-N-cyclopropyl-3-N-(2-ethoxyethyl)-3-N-methylbutane-1,3-diamine
SMILESCCOCCN(C)C(C)CCNC1CC1
InChIInChI=1S/C12H26N2O/c1-4-15-10-9-14(3)11(2)7-8-13-12-5-6-12/h11-13H,4-10H2,1-3H3
InChIKeyOSYMQQUDFBGOHR-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.49
Rot. Bonds9

About 1-N-cyclopropyl-3-N-(2-ethoxyethyl)-3-N-methylbutane-1,3-diamine

1-N-cyclopropyl-3-N-(2-ethoxyethyl)-3-N-methylbutane-1,3-diamine (PubChem CID 81074188) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-N-cyclopropyl-3-N-(2-ethoxyethyl)-3-N-methylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-3-N-(2-ethoxyethyl)-3-N-methylbutane-1,3-diamine
PubChem CID81074188
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-N-cyclopropyl-3-N-(2-ethoxyethyl)-3-N-methylbutane-1,3-diamine
SMILESCCOCCN(C)C(C)CCNC1CC1
InChIInChI=1S/C12H26N2O/c1-4-15-10-9-14(3)11(2)7-8-13-12-5-6-12/h11-13H,4-10H2,1-3H3
InChIKeyOSYMQQUDFBGOHR-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.49
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-cyclopropyl-3-N-(2-methoxyethyl)-3-N-methylbutane-1,3-diamine
CID 62448035
1-N-cyclopropyl-3-N-methyl-3-N-propylbutane-1,3-diamine
CID 62418497
1-N-cyclopropyl-2-N-(2-ethoxyethyl)-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103227020
1-N-cyclopropyl-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-1,3-diamine
CID 63865613
N-cyclopropyl-N'-(3-ethoxypropyl)-N'-methylethane-1,2-diamine
CID 65175083
4-N-(2-ethoxyethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 81067945
N-cyclopropyl-N',N'-bis(2-ethoxyethyl)hexane-1,6-diamine
CID 82940250
N',N'-bis(2-ethoxyethyl)-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 82943267
3-N-butan-2-yl-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine
CID 62416971
N-[3-(2-ethoxyethoxy)propyl]cyclopropanamine
CID 62445452
1-N-cyclopropyl-3-N-methyl-3-N-(oxan-2-ylmethyl)butane-1,3-diamine
CID 62428882
3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine
CID 63681876

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-3-N-(2-ethoxyethyl)-3-N-methylbutane-1,3-diamine?
The IUPAC name of 1-N-cyclopropyl-3-N-(2-ethoxyethyl)-3-N-methylbutane-1,3-diamine (CID 81074188) is 1-N-cyclopropyl-3-N-(2-ethoxyethyl)-3-N-methylbutane-1,3-diamine.
What is the SMILES notation for 1-N-cyclopropyl-3-N-(2-ethoxyethyl)-3-N-methylbutane-1,3-diamine?
The canonical SMILES for 1-N-cyclopropyl-3-N-(2-ethoxyethyl)-3-N-methylbutane-1,3-diamine is CCOCCN(C)C(C)CCNC1CC1.
What is the InChIKey of 1-N-cyclopropyl-3-N-(2-ethoxyethyl)-3-N-methylbutane-1,3-diamine?
The InChIKey is OSYMQQUDFBGOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-15-10-9-14(3)11(2)7-8-13-12-5-6-12/h11-13H,4-10H2,1-3H3.
What are the key properties of 1-N-cyclopropyl-3-N-(2-ethoxyethyl)-3-N-methylbutane-1,3-diamine?
1-N-cyclopropyl-3-N-(2-ethoxyethyl)-3-N-methylbutane-1,3-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.49, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-3-N-(2-ethoxyethyl)-3-N-methylbutane-1,3-diamine is sourced from PubChem (CID 81074188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).