5-[(Z)-but-1-enoxy]-6-methylhept-5-en-1-amine

C12H23NO — CID 177319853

IUPAC5-[(Z)-but-1-enoxy]-6-methylhept-5-en-1-amine
SMILESCC/C=C\OC(CCCCN)=C(C)C
InChIInChI=1S/C12H23NO/c1-4-5-10-14-12(11(2)3)8-6-7-9-13/h5,10H,4,6-9,13H2,1-3H3/b10-5-
InChIKeyXJIKYGADFLMRMJ-YHYXMXQVSA-N
MW197.32 g/mol
LogP3.35
Rot. Bonds7

About 5-[(Z)-but-1-enoxy]-6-methylhept-5-en-1-amine

5-[(Z)-but-1-enoxy]-6-methylhept-5-en-1-amine (PubChem CID 177319853) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 5-[(Z)-but-1-enoxy]-6-methylhept-5-en-1-amine.

Molecular Properties

Compound Name5-[(Z)-but-1-enoxy]-6-methylhept-5-en-1-amine
PubChem CID177319853
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name5-[(Z)-but-1-enoxy]-6-methylhept-5-en-1-amine
SMILESCC/C=C\OC(CCCCN)=C(C)C
InChIInChI=1S/C12H23NO/c1-4-5-10-14-12(11(2)3)8-6-7-9-13/h5,10H,4,6-9,13H2,1-3H3/b10-5-
InChIKeyXJIKYGADFLMRMJ-YHYXMXQVSA-N
XLogP3.35
TPSA35.25 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 ≤ 53.35
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'}

Analyze 5-[(Z)-but-1-enoxy]-6-methylhept-5-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-Methoxycyclohexa-1,4-dien-1-yl)ethanamine
CID 12160618
3-(2-Methoxycyclohexa-1,4-dien-1-yl)propan-1-amine
CID 10964900
(4-Ethoxy-3-methylcyclohexa-1,3-dien-1-yl)methanamine
CID 89418548
(E)-6-methoxynon-6-en-1-amine
CID 143414744
(E)-5,8-dimethoxy-3-methylidenenon-4-en-1-amine
CID 166552161
3-[(2Z,7E)-3-methyl-5,6-dihydro-4H-oxocin-2-yl]propan-1-amine
CID 177319750
5-[(Z)-but-1-enoxy]-N,6-dimethylhept-5-en-1-amine
CID 177319959
6-methyl-5-[(Z)-prop-1-enoxy]hept-5-en-1-amine
CID 177320019
4-(3,7-Dimethyl-4,5-dihydrooxepin-2-yl)butan-1-amine
CID 177320186
5-methyl-4-[(Z)-prop-1-enoxy]hex-4-en-1-amine
CID 177320203
(4E)-4-(methoxymethyl)octa-4,7-dien-1-amine
CID 103392186
(4E)-4-(methoxymethyl)nona-4,8-dien-1-amine
CID 103392193

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-but-1-enoxy]-6-methylhept-5-en-1-amine?
The IUPAC name of 5-[(Z)-but-1-enoxy]-6-methylhept-5-en-1-amine (CID 177319853) is 5-[(Z)-but-1-enoxy]-6-methylhept-5-en-1-amine.
What is the SMILES notation for 5-[(Z)-but-1-enoxy]-6-methylhept-5-en-1-amine?
The canonical SMILES for 5-[(Z)-but-1-enoxy]-6-methylhept-5-en-1-amine is CC/C=C\OC(CCCCN)=C(C)C.
What is the InChIKey of 5-[(Z)-but-1-enoxy]-6-methylhept-5-en-1-amine?
The InChIKey is XJIKYGADFLMRMJ-YHYXMXQVSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-5-10-14-12(11(2)3)8-6-7-9-13/h5,10H,4,6-9,13H2,1-3H3/b10-5-.
What are the key properties of 5-[(Z)-but-1-enoxy]-6-methylhept-5-en-1-amine?
5-[(Z)-but-1-enoxy]-6-methylhept-5-en-1-amine has a molecular weight of 197.32 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-but-1-enoxy]-6-methylhept-5-en-1-amine is sourced from PubChem (CID 177319853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).