(7E)-1-methyl-7-[(Z)-prop-1-enyl]-8-prop-2-enyl-3,4,5,6-tetrahydro-2H-azocine

C14H23N — CID 134437704

IUPAC(7E)-1-methyl-7-[(Z)-prop-1-enyl]-8-prop-2-enyl-3,4,5,6-tetrahydro-2H-azocine
SMILESC=CC/C1=C(\C=C/C)CCCCCN1C
InChIInChI=1S/C14H23N/c1-4-9-13-11-7-6-8-12-15(3)14(13)10-5-2/h4-5,9H,2,6-8,10-12H2,1,3H3/b9-4-,14-13-
InChIKeyUKMOXXZNDHUVJV-LXHVOZKRSA-N
MW205.34 g/mol
LogP3.90
Rot. Bonds3

About (7E)-1-methyl-7-[(Z)-prop-1-enyl]-8-prop-2-enyl-3,4,5,6-tetrahydro-2H-azocine

(7E)-1-methyl-7-[(Z)-prop-1-enyl]-8-prop-2-enyl-3,4,5,6-tetrahydro-2H-azocine (PubChem CID 134437704) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is (7E)-1-methyl-7-[(Z)-prop-1-enyl]-8-prop-2-enyl-3,4,5,6-tetrahydro-2H-azocine.

Molecular Properties

Compound Name(7E)-1-methyl-7-[(Z)-prop-1-enyl]-8-prop-2-enyl-3,4,5,6-tetrahydro-2H-azocine
PubChem CID134437704
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name(7E)-1-methyl-7-[(Z)-prop-1-enyl]-8-prop-2-enyl-3,4,5,6-tetrahydro-2H-azocine
SMILESC=CC/C1=C(\C=C/C)CCCCCN1C
InChIInChI=1S/C14H23N/c1-4-9-13-11-7-6-8-12-15(3)14(13)10-5-2/h4-5,9H,2,6-8,10-12H2,1,3H3/b9-4-,14-13-
InChIKeyUKMOXXZNDHUVJV-LXHVOZKRSA-N
XLogP3.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine
CID 12982239
4-(Dimethylamino)-5,6-dihydropentalene
CID 13280604
N-(dimethyloctadienyl)diethylamine
CID 129811778
(E)-3-ethenyl-1,1-difluoro-N-heptan-3-yl-N-methyl-4-methylidenehept-2-en-2-amine
CID 167104618
N,N,N'-trimethyl-N'-[2-[(E)-oct-1-enyl]cyclopenten-1-yl]ethane-1,2-diamine
CID 13804630
N'-[2-[(Z)-hex-1-enyl]cyclopenten-1-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 13804632
N-(dimethyloctadienyl)piperidine
CID 129763869
1-Allyl-3,5-diethyl-2-propyl 1,2-dihydropyridine
CID 129774104
(E)-5-ethyl-N,N-bis(prop-2-enyl)oct-4-en-4-amine
CID 134859908
CID 138976296
CID 138976296
3-Cyclopenta-1,3-dien-1-ylpropyl(trimethyl)azanium
CID 146680181
N-(2-cyclopenta-1,3-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine
CID 12178792

Frequently Asked Questions

What is the IUPAC name of (7E)-1-methyl-7-[(Z)-prop-1-enyl]-8-prop-2-enyl-3,4,5,6-tetrahydro-2H-azocine?
The IUPAC name of (7E)-1-methyl-7-[(Z)-prop-1-enyl]-8-prop-2-enyl-3,4,5,6-tetrahydro-2H-azocine (CID 134437704) is (7E)-1-methyl-7-[(Z)-prop-1-enyl]-8-prop-2-enyl-3,4,5,6-tetrahydro-2H-azocine.
What is the SMILES notation for (7E)-1-methyl-7-[(Z)-prop-1-enyl]-8-prop-2-enyl-3,4,5,6-tetrahydro-2H-azocine?
The canonical SMILES for (7E)-1-methyl-7-[(Z)-prop-1-enyl]-8-prop-2-enyl-3,4,5,6-tetrahydro-2H-azocine is C=CC/C1=C(\C=C/C)CCCCCN1C.
What is the InChIKey of (7E)-1-methyl-7-[(Z)-prop-1-enyl]-8-prop-2-enyl-3,4,5,6-tetrahydro-2H-azocine?
The InChIKey is UKMOXXZNDHUVJV-LXHVOZKRSA-N. The full InChI is InChI=1S/C14H23N/c1-4-9-13-11-7-6-8-12-15(3)14(13)10-5-2/h4-5,9H,2,6-8,10-12H2,1,3H3/b9-4-,14-13-.
What are the key properties of (7E)-1-methyl-7-[(Z)-prop-1-enyl]-8-prop-2-enyl-3,4,5,6-tetrahydro-2H-azocine?
(7E)-1-methyl-7-[(Z)-prop-1-enyl]-8-prop-2-enyl-3,4,5,6-tetrahydro-2H-azocine has a molecular weight of 205.34 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-1-methyl-7-[(Z)-prop-1-enyl]-8-prop-2-enyl-3,4,5,6-tetrahydro-2H-azocine is sourced from PubChem (CID 134437704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).