(3E)-3-ethenyl-2-methylhexa-3,5-dien-1-amine;methanol;prop-1-ene

C13H25NO — CID 143110118

IUPAC(3E)-3-ethenyl-2-methylhexa-3,5-dien-1-amine;methanol;prop-1-ene
SMILESC=C/C=C(\C=C)C(C)CN.C=CC.CO
InChIInChI=1S/C9H15N.C3H6.CH4O/c1-4-6-9(5-2)8(3)7-10;1-3-2;1-2/h4-6,8H,1-2,7,10H2,3H3;3H,1H2,2H3;2H,1H3/b9-6+;;
InChIKeyVPRYFCXXDHCIJV-SWSRPJROSA-N
MW211.35 g/mol
LogP2.68
Rot. Bonds4

About (3E)-3-ethenyl-2-methylhexa-3,5-dien-1-amine;methanol;prop-1-ene

(3E)-3-ethenyl-2-methylhexa-3,5-dien-1-amine;methanol;prop-1-ene (PubChem CID 143110118) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (3E)-3-ethenyl-2-methylhexa-3,5-dien-1-amine;methanol;prop-1-ene.

Molecular Properties

Compound Name(3E)-3-ethenyl-2-methylhexa-3,5-dien-1-amine;methanol;prop-1-ene
PubChem CID143110118
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(3E)-3-ethenyl-2-methylhexa-3,5-dien-1-amine;methanol;prop-1-ene
SMILESC=C/C=C(\C=C)C(C)CN.C=CC.CO
InChIInChI=1S/C9H15N.C3H6.CH4O/c1-4-6-9(5-2)8(3)7-10;1-3-2;1-2/h4-6,8H,1-2,7,10H2,3H3;3H,1H2,2H3;2H,1H3/b9-6+;;
InChIKeyVPRYFCXXDHCIJV-SWSRPJROSA-N
XLogP2.68
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3Z)-2-ethyl-5-methylhexa-3,5-dien-1-amine
CID 88588533
(2R,3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-1-amine
CID 88880590
(2S,4Z)-2,5-dimethylhepta-4,6-dien-1-amine
CID 89377891
(4Z)-3,6-dimethylhepta-4,6-dien-1-amine
CID 89418750
(2S,3R,4Z,6Z)-1-amino-3,5-dimethylocta-4,6-dien-2-ol
CID 134533797
(4Z,6Z)-2-methyl-3-(2-methylprop-1-enylidene)octa-4,6-dien-1-amine
CID 137508453
(3E)-2-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 142097121
2-aminoethanol;ethane;(2Z,4Z)-3-methylhexa-2,4-diene
CID 143077499
(3E)-3-ethenyl-2-methylhexa-3,5-dien-1-amine;propane
CID 143109996
ethane;(3E)-3-ethenyl-2-methylhexa-3,5-dien-1-amine;propane
CID 143110013
(3E)-3-ethenyl-2-methylhexa-3,5-dien-1-amine;prop-1-ene
CID 143110146
ethane;(3E)-3-ethenyl-2-methylhexa-3,5-dien-1-amine
CID 143180427

Frequently Asked Questions

What is the IUPAC name of (3E)-3-ethenyl-2-methylhexa-3,5-dien-1-amine;methanol;prop-1-ene?
The IUPAC name of (3E)-3-ethenyl-2-methylhexa-3,5-dien-1-amine;methanol;prop-1-ene (CID 143110118) is (3E)-3-ethenyl-2-methylhexa-3,5-dien-1-amine;methanol;prop-1-ene.
What is the SMILES notation for (3E)-3-ethenyl-2-methylhexa-3,5-dien-1-amine;methanol;prop-1-ene?
The canonical SMILES for (3E)-3-ethenyl-2-methylhexa-3,5-dien-1-amine;methanol;prop-1-ene is C=C/C=C(\C=C)C(C)CN.C=CC.CO.
What is the InChIKey of (3E)-3-ethenyl-2-methylhexa-3,5-dien-1-amine;methanol;prop-1-ene?
The InChIKey is VPRYFCXXDHCIJV-SWSRPJROSA-N. The full InChI is InChI=1S/C9H15N.C3H6.CH4O/c1-4-6-9(5-2)8(3)7-10;1-3-2;1-2/h4-6,8H,1-2,7,10H2,3H3;3H,1H2,2H3;2H,1H3/b9-6+;;.
What are the key properties of (3E)-3-ethenyl-2-methylhexa-3,5-dien-1-amine;methanol;prop-1-ene?
(3E)-3-ethenyl-2-methylhexa-3,5-dien-1-amine;methanol;prop-1-ene has a molecular weight of 211.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-ethenyl-2-methylhexa-3,5-dien-1-amine;methanol;prop-1-ene is sourced from PubChem (CID 143110118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).