(E)-N-butan-2-yloxybut-1-en-1-amine

C8H17NO — CID 57199031

IUPAC(E)-N-butan-2-yloxybut-1-en-1-amine
SMILESCC/C=C/NOC(C)CC
InChIInChI=1S/C8H17NO/c1-4-6-7-9-10-8(3)5-2/h6-9H,4-5H2,1-3H3/b7-6+
InChIKeyDHQSJLGQVCRFRT-VOTSOKGWSA-N
MW143.23 g/mol
LogP2.23
Rot. Bonds5

About (E)-N-butan-2-yloxybut-1-en-1-amine

(E)-N-butan-2-yloxybut-1-en-1-amine (PubChem CID 57199031) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (E)-N-butan-2-yloxybut-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-butan-2-yloxybut-1-en-1-amine
PubChem CID57199031
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(E)-N-butan-2-yloxybut-1-en-1-amine
SMILESCC/C=C/NOC(C)CC
InChIInChI=1S/C8H17NO/c1-4-6-7-9-10-8(3)5-2/h6-9H,4-5H2,1-3H3/b7-6+
InChIKeyDHQSJLGQVCRFRT-VOTSOKGWSA-N
XLogP2.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-butan-2-yloxybut-1-en-1-amine?
The IUPAC name of (E)-N-butan-2-yloxybut-1-en-1-amine (CID 57199031) is (E)-N-butan-2-yloxybut-1-en-1-amine.
What is the SMILES notation for (E)-N-butan-2-yloxybut-1-en-1-amine?
The canonical SMILES for (E)-N-butan-2-yloxybut-1-en-1-amine is CC/C=C/NOC(C)CC.
What is the InChIKey of (E)-N-butan-2-yloxybut-1-en-1-amine?
The InChIKey is DHQSJLGQVCRFRT-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-6-7-9-10-8(3)5-2/h6-9H,4-5H2,1-3H3/b7-6+.
What are the key properties of (E)-N-butan-2-yloxybut-1-en-1-amine?
(E)-N-butan-2-yloxybut-1-en-1-amine has a molecular weight of 143.23 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-butan-2-yloxybut-1-en-1-amine is sourced from PubChem (CID 57199031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).