N'-but-2-en-2-yl-N'-[[ethyl(2-methoxyethyl)amino]methyl]-N,N-dimethylethane-1,2-diamine

C14H31N3O — CID 123613403

IUPACN'-but-2-en-2-yl-N'-[[ethyl(2-methoxyethyl)amino]methyl]-N,N-dimethylethane-1,2-diamine
SMILESCC=C(C)N(CCN(C)C)CN(CC)CCOC
InChIInChI=1S/C14H31N3O/c1-7-14(3)17(10-9-15(4)5)13-16(8-2)11-12-18-6/h7H,8-13H2,1-6H3
InChIKeyFSAXVMMACAAPAQ-UHFFFAOYSA-N
MW257.42 g/mol
LogP1.70
Rot. Bonds10

About N'-but-2-en-2-yl-N'-[[ethyl(2-methoxyethyl)amino]methyl]-N,N-dimethylethane-1,2-diamine

N'-but-2-en-2-yl-N'-[[ethyl(2-methoxyethyl)amino]methyl]-N,N-dimethylethane-1,2-diamine (PubChem CID 123613403) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is N'-but-2-en-2-yl-N'-[[ethyl(2-methoxyethyl)amino]methyl]-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-but-2-en-2-yl-N'-[[ethyl(2-methoxyethyl)amino]methyl]-N,N-dimethylethane-1,2-diamine
PubChem CID123613403
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC NameN'-but-2-en-2-yl-N'-[[ethyl(2-methoxyethyl)amino]methyl]-N,N-dimethylethane-1,2-diamine
SMILESCC=C(C)N(CCN(C)C)CN(CC)CCOC
InChIInChI=1S/C14H31N3O/c1-7-14(3)17(10-9-15(4)5)13-16(8-2)11-12-18-6/h7H,8-13H2,1-6H3
InChIKeyFSAXVMMACAAPAQ-UHFFFAOYSA-N
XLogP1.70
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-but-2-en-2-yl-N'-[[ethyl(2-methoxyethyl)amino]methyl]-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-but-2-en-2-yl-N'-[[ethyl(2-methoxyethyl)amino]methyl]-N,N-dimethylethane-1,2-diamine (CID 123613403) is N'-but-2-en-2-yl-N'-[[ethyl(2-methoxyethyl)amino]methyl]-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-but-2-en-2-yl-N'-[[ethyl(2-methoxyethyl)amino]methyl]-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-but-2-en-2-yl-N'-[[ethyl(2-methoxyethyl)amino]methyl]-N,N-dimethylethane-1,2-diamine is CC=C(C)N(CCN(C)C)CN(CC)CCOC.
What is the InChIKey of N'-but-2-en-2-yl-N'-[[ethyl(2-methoxyethyl)amino]methyl]-N,N-dimethylethane-1,2-diamine?
The InChIKey is FSAXVMMACAAPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-7-14(3)17(10-9-15(4)5)13-16(8-2)11-12-18-6/h7H,8-13H2,1-6H3.
What are the key properties of N'-but-2-en-2-yl-N'-[[ethyl(2-methoxyethyl)amino]methyl]-N,N-dimethylethane-1,2-diamine?
N'-but-2-en-2-yl-N'-[[ethyl(2-methoxyethyl)amino]methyl]-N,N-dimethylethane-1,2-diamine has a molecular weight of 257.42 g/mol, XLogP of 1.70, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-2-en-2-yl-N'-[[ethyl(2-methoxyethyl)amino]methyl]-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 123613403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).