(1E)-1-butoxyiminopropan-2-amine

C7H16N2O — CID 58684780

IUPAC(1E)-1-butoxyiminopropan-2-amine
SMILESCCCCO/N=C/C(C)N
InChIInChI=1S/C7H16N2O/c1-3-4-5-10-9-6-7(2)8/h6-7H,3-5,8H2,1-2H3/b9-6+
InChIKeyGXJLVJDHRORECA-RMKNXTFCSA-N
MW144.22 g/mol
LogP1.14
Rot. Bonds5

About (1E)-1-butoxyiminopropan-2-amine

(1E)-1-butoxyiminopropan-2-amine (PubChem CID 58684780) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is (1E)-1-butoxyiminopropan-2-amine.

Molecular Properties

Compound Name(1E)-1-butoxyiminopropan-2-amine
PubChem CID58684780
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name(1E)-1-butoxyiminopropan-2-amine
SMILESCCCCO/N=C/C(C)N
InChIInChI=1S/C7H16N2O/c1-3-4-5-10-9-6-7(2)8/h6-7H,3-5,8H2,1-2H3/b9-6+
InChIKeyGXJLVJDHRORECA-RMKNXTFCSA-N
XLogP1.14
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1E)-1-(2-ethoxyethoxyimino)propan-2-amine
CID 58684899
(2E)-2-butoxyiminoacetic acid
CID 88725483
(E)-N,N'-dipentoxyethane-1,2-diimine
CID 118112396
(E)-N-butoxy-2-chloroethanimine
CID 18926175
(E)-N,N'-dihexoxyethane-1,2-diimine
CID 174854419
sulfanyl (1E)-N-butoxymethanimidothioate
CID 137490278
(E)-N-pentoxypentan-1-imine
CID 18714719
(1E)-1-[(4-fluorophenyl)methoxyimino]propan-2-amine
CID 58684892
O-butyl 2-methylpent-4-enethioate
CID 54255765
(2R)-1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-amine
CID 104560995
1-(2-butoxyethoxy)propan-2-amine
CID 43127528
3-[(E)-propylideneamino]oxypropan-1-amine
CID 58685004

Frequently Asked Questions

What is the IUPAC name of (1E)-1-butoxyiminopropan-2-amine?
The IUPAC name of (1E)-1-butoxyiminopropan-2-amine (CID 58684780) is (1E)-1-butoxyiminopropan-2-amine.
What is the SMILES notation for (1E)-1-butoxyiminopropan-2-amine?
The canonical SMILES for (1E)-1-butoxyiminopropan-2-amine is CCCCO/N=C/C(C)N.
What is the InChIKey of (1E)-1-butoxyiminopropan-2-amine?
The InChIKey is GXJLVJDHRORECA-RMKNXTFCSA-N. The full InChI is InChI=1S/C7H16N2O/c1-3-4-5-10-9-6-7(2)8/h6-7H,3-5,8H2,1-2H3/b9-6+.
What are the key properties of (1E)-1-butoxyiminopropan-2-amine?
(1E)-1-butoxyiminopropan-2-amine has a molecular weight of 144.22 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-butoxyiminopropan-2-amine is sourced from PubChem (CID 58684780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).