4-(2-aminoethoxy)-2-(methylideneamino)butan-2-amine

C7H17N3O — CID 163767679

IUPAC4-(2-aminoethoxy)-2-(methylideneamino)butan-2-amine
SMILESC=NC(C)(N)CCOCCN
InChIInChI=1S/C7H17N3O/c1-7(9,10-2)3-5-11-6-4-8/h2-6,8-9H2,1H3
InChIKeyMDTLCLYTLQUCLU-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.27
Rot. Bonds6

About 4-(2-aminoethoxy)-2-(methylideneamino)butan-2-amine

4-(2-aminoethoxy)-2-(methylideneamino)butan-2-amine (PubChem CID 163767679) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is 4-(2-aminoethoxy)-2-(methylideneamino)butan-2-amine.

Molecular Properties

Compound Name4-(2-aminoethoxy)-2-(methylideneamino)butan-2-amine
PubChem CID163767679
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name4-(2-aminoethoxy)-2-(methylideneamino)butan-2-amine
SMILESC=NC(C)(N)CCOCCN
InChIInChI=1S/C7H17N3O/c1-7(9,10-2)3-5-11-6-4-8/h2-6,8-9H2,1H3
InChIKeyMDTLCLYTLQUCLU-UHFFFAOYSA-N
XLogP-0.27
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-tert-butylsulfanylethoxy)ethanamine
CID 103482631
2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethanamine
CID 58409020
2-(2-aminoethoxy)ethanamine;azane
CID 87273439
2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;azane
CID 174533279
2-(2-aminoethoxy)ethanamine;hydron;dichloride
CID 74764781
N-[4-(2-aminoethoxy)-3,3-dimethylbutan-2-ylidene]hydroxylamine
CID 142657532
2-(2-methylsulfanylethoxy)ethanamine
CID 57125874
2-[2-(2-methylbutan-2-yloxy)ethoxy]ethanamine
CID 103482466
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-methylpropan-2-amine
CID 58904017
2-(3-dihydroxysilylpropoxy)ethanamine
CID 173135783
1-(3,3-dimethylbutoxy)-2-methylpropan-2-amine
CID 64537370
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 18764651

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxy)-2-(methylideneamino)butan-2-amine?
The IUPAC name of 4-(2-aminoethoxy)-2-(methylideneamino)butan-2-amine (CID 163767679) is 4-(2-aminoethoxy)-2-(methylideneamino)butan-2-amine.
What is the SMILES notation for 4-(2-aminoethoxy)-2-(methylideneamino)butan-2-amine?
The canonical SMILES for 4-(2-aminoethoxy)-2-(methylideneamino)butan-2-amine is C=NC(C)(N)CCOCCN.
What is the InChIKey of 4-(2-aminoethoxy)-2-(methylideneamino)butan-2-amine?
The InChIKey is MDTLCLYTLQUCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c1-7(9,10-2)3-5-11-6-4-8/h2-6,8-9H2,1H3.
What are the key properties of 4-(2-aminoethoxy)-2-(methylideneamino)butan-2-amine?
4-(2-aminoethoxy)-2-(methylideneamino)butan-2-amine has a molecular weight of 159.23 g/mol, XLogP of -0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethoxy)-2-(methylideneamino)butan-2-amine is sourced from PubChem (CID 163767679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).