4-[(Z)-but-1-enoxy]-N,5-dimethylhex-4-en-1-amine

C12H23NO — CID 177319942

IUPAC4-[(Z)-but-1-enoxy]-N,5-dimethylhex-4-en-1-amine
SMILESCC/C=C\OC(CCCNC)=C(C)C
InChIInChI=1S/C12H23NO/c1-5-6-10-14-12(11(2)3)8-7-9-13-4/h6,10,13H,5,7-9H2,1-4H3/b10-6-
InChIKeyAUOGLZHWMBYXQL-POHAHGRESA-N
MW197.32 g/mol
LogP3.22
Rot. Bonds7

About 4-[(Z)-but-1-enoxy]-N,5-dimethylhex-4-en-1-amine

4-[(Z)-but-1-enoxy]-N,5-dimethylhex-4-en-1-amine (PubChem CID 177319942) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-[(Z)-but-1-enoxy]-N,5-dimethylhex-4-en-1-amine.

Molecular Properties

Compound Name4-[(Z)-but-1-enoxy]-N,5-dimethylhex-4-en-1-amine
PubChem CID177319942
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-[(Z)-but-1-enoxy]-N,5-dimethylhex-4-en-1-amine
SMILESCC/C=C\OC(CCCNC)=C(C)C
InChIInChI=1S/C12H23NO/c1-5-6-10-14-12(11(2)3)8-7-9-13-4/h6,10,13H,5,7-9H2,1-4H3/b10-6-
InChIKeyAUOGLZHWMBYXQL-POHAHGRESA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-2-(3-methoxycyclohexa-2,5-dien-1-yl)-N-methylethanamine
CID 70508829
N-methyl-5-prop-1-en-2-yloxypent-4-en-1-amine
CID 139971949
2-(4-methoxycyclohepta-1,3,6-trien-1-yl)-N-methylethanamine
CID 142206940
4-cyclopropylidene-4-methoxy-N-methylbutan-1-amine
CID 144177379
2-(2-methoxycyclohexa-1,5-dien-1-yl)-N-methylethanamine
CID 144387401
ethane;ethene;1-(2-methoxycyclohexa-1,5-dien-1-yl)-N-methylmethanamine
CID 144547153
(3Z,5E,6Z)-5-ethylidene-7-methoxy-N-methyl-9-methylidene-3-prop-1-en-2-ylundeca-3,6,10-trien-1-amine
CID 155746533
N-methyl-2-(oxepin-4-yl)ethanamine
CID 156063341
4-ethenyl-5-[(E)-2-ethoxyprop-1-enyl]-1,2,3,6-tetrahydropyridine
CID 156339978
N-[(2-methoxycyclohexa-1,5-dien-1-yl)methyl]ethanamine
CID 165142320
(2Z)-2-ethyl-N-[(E)-3-methoxyprop-2-enyl]-4-methylpenta-2,4-dien-1-amine
CID 166850487
(2Z)-2-methyl-3-(4-methylpent-3-enyl)-5,6,7,8-tetrahydro-4H-1,4-oxazocine
CID 167071214

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-but-1-enoxy]-N,5-dimethylhex-4-en-1-amine?
The IUPAC name of 4-[(Z)-but-1-enoxy]-N,5-dimethylhex-4-en-1-amine (CID 177319942) is 4-[(Z)-but-1-enoxy]-N,5-dimethylhex-4-en-1-amine.
What is the SMILES notation for 4-[(Z)-but-1-enoxy]-N,5-dimethylhex-4-en-1-amine?
The canonical SMILES for 4-[(Z)-but-1-enoxy]-N,5-dimethylhex-4-en-1-amine is CC/C=C\OC(CCCNC)=C(C)C.
What is the InChIKey of 4-[(Z)-but-1-enoxy]-N,5-dimethylhex-4-en-1-amine?
The InChIKey is AUOGLZHWMBYXQL-POHAHGRESA-N. The full InChI is InChI=1S/C12H23NO/c1-5-6-10-14-12(11(2)3)8-7-9-13-4/h6,10,13H,5,7-9H2,1-4H3/b10-6-.
What are the key properties of 4-[(Z)-but-1-enoxy]-N,5-dimethylhex-4-en-1-amine?
4-[(Z)-but-1-enoxy]-N,5-dimethylhex-4-en-1-amine has a molecular weight of 197.32 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-but-1-enoxy]-N,5-dimethylhex-4-en-1-amine is sourced from PubChem (CID 177319942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).