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

C14H31NO — CID 142810190

IUPACethane;2-methylpropane;(Z)-2-prop-1-en-2-yloxypent-2-en-1-amine
SMILESC=C(C)O/C(=C\CC)CN.CC.CC(C)C
InChIInChI=1S/C8H15NO.C4H10.C2H6/c1-4-5-8(6-9)10-7(2)3;1-4(2)3;1-2/h5H,2,4,6,9H2,1,3H3;4H,1-3H3;1-2H3/b8-5-;;
InChIKeyFCIYAFLMUCMIEA-XTKZWJJBSA-N
MW229.41 g/mol
LogP4.48
Rot. Bonds4

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

ethane;2-methylpropane;(Z)-2-prop-1-en-2-yloxypent-2-en-1-amine (PubChem CID 142810190) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is ethane;2-methylpropane;(Z)-2-prop-1-en-2-yloxypent-2-en-1-amine.

Molecular Properties

Compound Nameethane;2-methylpropane;(Z)-2-prop-1-en-2-yloxypent-2-en-1-amine
PubChem CID142810190
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Nameethane;2-methylpropane;(Z)-2-prop-1-en-2-yloxypent-2-en-1-amine
SMILESC=C(C)O/C(=C\CC)CN.CC.CC(C)C
InChIInChI=1S/C8H15NO.C4H10.C2H6/c1-4-5-8(6-9)10-7(2)3;1-4(2)3;1-2/h5H,2,4,6,9H2,1,3H3;4H,1-3H3;1-2H3/b8-5-;;
InChIKeyFCIYAFLMUCMIEA-XTKZWJJBSA-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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Related Compounds

2-Methoxy-4-methylpent-2-en-1-amine
CID 54437080
(Z)-2-ethyl-3-prop-1-en-2-yloxybut-2-en-1-amine
CID 135258420
(Z)-2-methyl-4-prop-1-en-2-yloxyhex-4-en-3-amine
CID 142180393
(Z)-2-methoxy-4,5-dimethylhex-2-en-1-amine;2-methylpropane
CID 142180785
3,4-dihydro-2H-pyran-6-ylmethanamine;ethane
CID 142274774
ethane;fluoroethane;(Z)-2-methoxy-4-methylpent-2-en-1-amine
CID 142810077
(Z)-2-ethoxypent-2-en-1-amine;methylcyclopropane
CID 142810125
(Z)-2-ethoxypent-2-en-1-amine
CID 142810126
ethane;2-methylpropane;(Z)-2-prop-1-en-2-yloxybut-2-en-1-amine
CID 142882895
ethane;(Z)-2-ethoxypent-2-en-1-amine;fluoroethane
CID 142883613
(2,3-Dimethyl-2,3-dihydrofuran-5-yl)methanamine;ethane;propane
CID 142883616
ethane;2-methylbutane;(Z)-2-prop-1-en-2-yloxybut-2-en-1-amine
CID 142883646

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpropane;(Z)-2-prop-1-en-2-yloxypent-2-en-1-amine?
The IUPAC name of ethane;2-methylpropane;(Z)-2-prop-1-en-2-yloxypent-2-en-1-amine (CID 142810190) is ethane;2-methylpropane;(Z)-2-prop-1-en-2-yloxypent-2-en-1-amine.
What is the SMILES notation for ethane;2-methylpropane;(Z)-2-prop-1-en-2-yloxypent-2-en-1-amine?
The canonical SMILES for ethane;2-methylpropane;(Z)-2-prop-1-en-2-yloxypent-2-en-1-amine is C=C(C)O/C(=C\CC)CN.CC.CC(C)C.
What is the InChIKey of ethane;2-methylpropane;(Z)-2-prop-1-en-2-yloxypent-2-en-1-amine?
The InChIKey is FCIYAFLMUCMIEA-XTKZWJJBSA-N. The full InChI is InChI=1S/C8H15NO.C4H10.C2H6/c1-4-5-8(6-9)10-7(2)3;1-4(2)3;1-2/h5H,2,4,6,9H2,1,3H3;4H,1-3H3;1-2H3/b8-5-;;.
What are the key properties of ethane;2-methylpropane;(Z)-2-prop-1-en-2-yloxypent-2-en-1-amine?
ethane;2-methylpropane;(Z)-2-prop-1-en-2-yloxypent-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-methylpropane;(Z)-2-prop-1-en-2-yloxypent-2-en-1-amine is sourced from PubChem (CID 142810190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).