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

C14H31NO — CID 142883646

IUPACethane;2-methylbutane;(Z)-2-prop-1-en-2-yloxybut-2-en-1-amine
SMILESC=C(C)O/C(=C\C)CN.CC.CCC(C)C
InChIInChI=1S/C7H13NO.C5H12.C2H6/c1-4-7(5-8)9-6(2)3;1-4-5(2)3;1-2/h4H,2,5,8H2,1,3H3;5H,4H2,1-3H3;1-2H3/b7-4-;;
InChIKeyRLIYMKZQAOPLKD-XIFWRFGDSA-N
MW229.41 g/mol
LogP4.48
Rot. Bonds4

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

ethane;2-methylbutane;(Z)-2-prop-1-en-2-yloxybut-2-en-1-amine (PubChem CID 142883646) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is ethane;2-methylbutane;(Z)-2-prop-1-en-2-yloxybut-2-en-1-amine.

Molecular Properties

Compound Nameethane;2-methylbutane;(Z)-2-prop-1-en-2-yloxybut-2-en-1-amine
PubChem CID142883646
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Nameethane;2-methylbutane;(Z)-2-prop-1-en-2-yloxybut-2-en-1-amine
SMILESC=C(C)O/C(=C\C)CN.CC.CCC(C)C
InChIInChI=1S/C7H13NO.C5H12.C2H6/c1-4-7(5-8)9-6(2)3;1-4-5(2)3;1-2/h4H,2,5,8H2,1,3H3;5H,4H2,1-3H3;1-2H3/b7-4-;;
InChIKeyRLIYMKZQAOPLKD-XIFWRFGDSA-N
XLogP4.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 54.48
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-methylbutane;(Z)-2-prop-1-en-2-yloxybut-2-en-1-amine?
The IUPAC name of ethane;2-methylbutane;(Z)-2-prop-1-en-2-yloxybut-2-en-1-amine (CID 142883646) is ethane;2-methylbutane;(Z)-2-prop-1-en-2-yloxybut-2-en-1-amine.
What is the SMILES notation for ethane;2-methylbutane;(Z)-2-prop-1-en-2-yloxybut-2-en-1-amine?
The canonical SMILES for ethane;2-methylbutane;(Z)-2-prop-1-en-2-yloxybut-2-en-1-amine is C=C(C)O/C(=C\C)CN.CC.CCC(C)C.
What is the InChIKey of ethane;2-methylbutane;(Z)-2-prop-1-en-2-yloxybut-2-en-1-amine?
The InChIKey is RLIYMKZQAOPLKD-XIFWRFGDSA-N. The full InChI is InChI=1S/C7H13NO.C5H12.C2H6/c1-4-7(5-8)9-6(2)3;1-4-5(2)3;1-2/h4H,2,5,8H2,1,3H3;5H,4H2,1-3H3;1-2H3/b7-4-;;.
What are the key properties of ethane;2-methylbutane;(Z)-2-prop-1-en-2-yloxybut-2-en-1-amine?
ethane;2-methylbutane;(Z)-2-prop-1-en-2-yloxybut-2-en-1-amine has a molecular weight of 229.41 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylbutane;(Z)-2-prop-1-en-2-yloxybut-2-en-1-amine is sourced from PubChem (CID 142883646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).