1-(2-aminoethoxy)-3-iminobutan-1-amine

C6H15N3O — CID 57183947

IUPAC1-(2-aminoethoxy)-3-iminobutan-1-amine
SMILES[H]/N=C(\C)CC(N)OCCN
InChIInChI=1S/C6H15N3O/c1-5(8)4-6(9)10-3-2-7/h6,8H,2-4,7,9H2,1H3/b8-5+
InChIKeyZNBPTBBDJCJHMH-VMPITWQZSA-N
MW145.21 g/mol
LogP-0.32
Rot. Bonds5

About 1-(2-aminoethoxy)-3-iminobutan-1-amine

1-(2-aminoethoxy)-3-iminobutan-1-amine (PubChem CID 57183947) has the molecular formula C6H15N3O and a molecular weight of 145.21 g/mol. Its IUPAC name is 1-(2-aminoethoxy)-3-iminobutan-1-amine.

Molecular Properties

Compound Name1-(2-aminoethoxy)-3-iminobutan-1-amine
PubChem CID57183947
Molecular FormulaC6H15N3O
Molecular Weight145.21 g/mol
Exact Mass145.12
IUPAC Name1-(2-aminoethoxy)-3-iminobutan-1-amine
SMILES[H]/N=C(\C)CC(N)OCCN
InChIInChI=1S/C6H15N3O/c1-5(8)4-6(9)10-3-2-7/h6,8H,2-4,7,9H2,1H3/b8-5+
InChIKeyZNBPTBBDJCJHMH-VMPITWQZSA-N
XLogP-0.32
TPSA85.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4,5,6-trimethyloctan-2-imine
CID 123170973
2-aminoethoxy(trihydroxy)phosphanium
CID 55290252
2-propan-2-yloxyethanamine
CID 533866
4-imino-N,N-dimethylpentan-2-amine
CID 163674101
7-iminooctan-1-amine
CID 174433043
1-(2-aminoethoxy)ethanol;hydroxylamine
CID 87972798
4-methylheptan-2-imine
CID 90831955
3-iminobutyl acetate
CID 163586069
1-(2-aminoethoxy)propan-1-ol
CID 87147915
3-amino-4-iminopentan-2-one
CID 143689653
3-(2-aminoethoxy)butanoic acid
CID 146218165
4,7-dimethylnonan-2-imine
CID 123346808

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethoxy)-3-iminobutan-1-amine?
The IUPAC name of 1-(2-aminoethoxy)-3-iminobutan-1-amine (CID 57183947) is 1-(2-aminoethoxy)-3-iminobutan-1-amine.
What is the SMILES notation for 1-(2-aminoethoxy)-3-iminobutan-1-amine?
The canonical SMILES for 1-(2-aminoethoxy)-3-iminobutan-1-amine is [H]/N=C(\C)CC(N)OCCN.
What is the InChIKey of 1-(2-aminoethoxy)-3-iminobutan-1-amine?
The InChIKey is ZNBPTBBDJCJHMH-VMPITWQZSA-N. The full InChI is InChI=1S/C6H15N3O/c1-5(8)4-6(9)10-3-2-7/h6,8H,2-4,7,9H2,1H3/b8-5+.
What are the key properties of 1-(2-aminoethoxy)-3-iminobutan-1-amine?
1-(2-aminoethoxy)-3-iminobutan-1-amine has a molecular weight of 145.21 g/mol, XLogP of -0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethoxy)-3-iminobutan-1-amine is sourced from PubChem (CID 57183947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).