ethane;2-methylpropane;(Z)-2-prop-1-en-2-yloxybut-2-en-1-amine

C15H35NO — CID 142882895

IUPACethane;2-methylpropane;(Z)-2-prop-1-en-2-yloxybut-2-en-1-amine
SMILESC=C(C)O/C(=C\C)CN.CC.CC.CC(C)C
InChIInChI=1S/C7H13NO.C4H10.2C2H6/c1-4-7(5-8)9-6(2)3;1-4(2)3;2*1-2/h4H,2,5,8H2,1,3H3;4H,1-3H3;2*1-2H3/b7-4-;;;
InChIKeyCLJJCANOVGSTNE-LSQFMHCWSA-N
MW245.45 g/mol
LogP5.11
Rot. Bonds3

About ethane;2-methylpropane;(Z)-2-prop-1-en-2-yloxybut-2-en-1-amine

ethane;2-methylpropane;(Z)-2-prop-1-en-2-yloxybut-2-en-1-amine (PubChem CID 142882895) has the molecular formula C15H35NO and a molecular weight of 245.45 g/mol. Its IUPAC name is ethane;2-methylpropane;(Z)-2-prop-1-en-2-yloxybut-2-en-1-amine.

Molecular Properties

Compound Nameethane;2-methylpropane;(Z)-2-prop-1-en-2-yloxybut-2-en-1-amine
PubChem CID142882895
Molecular FormulaC15H35NO
Molecular Weight245.45 g/mol
Exact Mass245.27
IUPAC Nameethane;2-methylpropane;(Z)-2-prop-1-en-2-yloxybut-2-en-1-amine
SMILESC=C(C)O/C(=C\C)CN.CC.CC.CC(C)C
InChIInChI=1S/C7H13NO.C4H10.2C2H6/c1-4-7(5-8)9-6(2)3;1-4(2)3;2*1-2/h4H,2,5,8H2,1,3H3;4H,1-3H3;2*1-2H3/b7-4-;;;
InChIKeyCLJJCANOVGSTNE-LSQFMHCWSA-N
XLogP5.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.45
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpropane;(Z)-2-prop-1-en-2-yloxybut-2-en-1-amine?
The IUPAC name of ethane;2-methylpropane;(Z)-2-prop-1-en-2-yloxybut-2-en-1-amine (CID 142882895) is ethane;2-methylpropane;(Z)-2-prop-1-en-2-yloxybut-2-en-1-amine.
What is the SMILES notation for ethane;2-methylpropane;(Z)-2-prop-1-en-2-yloxybut-2-en-1-amine?
The canonical SMILES for ethane;2-methylpropane;(Z)-2-prop-1-en-2-yloxybut-2-en-1-amine is C=C(C)O/C(=C\C)CN.CC.CC.CC(C)C.
What is the InChIKey of ethane;2-methylpropane;(Z)-2-prop-1-en-2-yloxybut-2-en-1-amine?
The InChIKey is CLJJCANOVGSTNE-LSQFMHCWSA-N. The full InChI is InChI=1S/C7H13NO.C4H10.2C2H6/c1-4-7(5-8)9-6(2)3;1-4(2)3;2*1-2/h4H,2,5,8H2,1,3H3;4H,1-3H3;2*1-2H3/b7-4-;;;.
What are the key properties of ethane;2-methylpropane;(Z)-2-prop-1-en-2-yloxybut-2-en-1-amine?
ethane;2-methylpropane;(Z)-2-prop-1-en-2-yloxybut-2-en-1-amine has a molecular weight of 245.45 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylpropane;(Z)-2-prop-1-en-2-yloxybut-2-en-1-amine is sourced from PubChem (CID 142882895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).