ethane;(3Z)-4-methoxyhepta-1,3-dien-3-amine

C10H21NO — CID 143329605

IUPACethane;(3Z)-4-methoxyhepta-1,3-dien-3-amine
SMILESC=C/C(N)=C(\CCC)OC.CC
InChIInChI=1S/C8H15NO.C2H6/c1-4-6-8(10-3)7(9)5-2;1-2/h5H,2,4,6,9H2,1,3H3;1-2H3/b8-7-;
InChIKeyAYDFXNDOHMRGKV-CFYXSCKTSA-N
MW171.28 g/mol
LogP2.82
Rot. Bonds4

About ethane;(3Z)-4-methoxyhepta-1,3-dien-3-amine

ethane;(3Z)-4-methoxyhepta-1,3-dien-3-amine (PubChem CID 143329605) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is ethane;(3Z)-4-methoxyhepta-1,3-dien-3-amine.

Molecular Properties

Compound Nameethane;(3Z)-4-methoxyhepta-1,3-dien-3-amine
PubChem CID143329605
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Nameethane;(3Z)-4-methoxyhepta-1,3-dien-3-amine
SMILESC=C/C(N)=C(\CCC)OC.CC
InChIInChI=1S/C8H15NO.C2H6/c1-4-6-8(10-3)7(9)5-2;1-2/h5H,2,4,6,9H2,1,3H3;1-2H3/b8-7-;
InChIKeyAYDFXNDOHMRGKV-CFYXSCKTSA-N
XLogP2.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Fluoro-5-methoxycyclohexa-1,5-dien-1-amine
CID 145165386
2-Methoxycyclohexa-1,5-dien-1-amine
CID 21659860
(3Z,5E)-3-methoxy-7,7-dimethylocta-1,3,5-trien-4-amine
CID 88960998
2-Methoxy-4-methylcyclohexa-1,5-dien-1-amine
CID 89001074
2,5-Dimethoxycyclohexa-1,5-dien-1-amine
CID 89025909
(2Z,4Z)-2-methoxy-5,6-dimethylhepta-2,4,6-trien-3-amine
CID 134176903
5-Methoxycyclohexa-1,5-dien-1-amine
CID 141836347
4-Methoxycyclohepta-1,3,6-trien-1-amine
CID 142264180
(3Z)-4-methoxy-5,5-dimethylhexa-1,3-dien-2-amine;molecular hydrogen
CID 144288969
(2E,4Z)-2-methoxy-5-methylhepta-2,4-dien-4-amine
CID 145234596
4-Methoxycyclohepta-1,4,6-trien-1-amine
CID 149102397
2-Methoxy-4-methylcyclohexa-1,5-diene-1,4-diamine
CID 154502684

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-4-methoxyhepta-1,3-dien-3-amine?
The IUPAC name of ethane;(3Z)-4-methoxyhepta-1,3-dien-3-amine (CID 143329605) is ethane;(3Z)-4-methoxyhepta-1,3-dien-3-amine.
What is the SMILES notation for ethane;(3Z)-4-methoxyhepta-1,3-dien-3-amine?
The canonical SMILES for ethane;(3Z)-4-methoxyhepta-1,3-dien-3-amine is C=C/C(N)=C(\CCC)OC.CC.
What is the InChIKey of ethane;(3Z)-4-methoxyhepta-1,3-dien-3-amine?
The InChIKey is AYDFXNDOHMRGKV-CFYXSCKTSA-N. The full InChI is InChI=1S/C8H15NO.C2H6/c1-4-6-8(10-3)7(9)5-2;1-2/h5H,2,4,6,9H2,1,3H3;1-2H3/b8-7-;.
What are the key properties of ethane;(3Z)-4-methoxyhepta-1,3-dien-3-amine?
ethane;(3Z)-4-methoxyhepta-1,3-dien-3-amine has a molecular weight of 171.28 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-4-methoxyhepta-1,3-dien-3-amine is sourced from PubChem (CID 143329605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).