(Z)-2-[(1R)-cyclohexa-2,4-dien-1-yl]-N-methyloct-5-en-1-amine

C15H25N — CID 71120082

IUPAC(Z)-2-[(1R)-cyclohexa-2,4-dien-1-yl]-N-methyloct-5-en-1-amine
SMILESCC/C=C\CCC(CNC)[C@H]1C=CC=CC1
InChIInChI=1S/C15H25N/c1-3-4-5-7-12-15(13-16-2)14-10-8-6-9-11-14/h4-6,8-10,14-16H,3,7,11-13H2,1-2H3/b5-4-/t14-,15?/m0/s1
InChIKeyKREOQCZFRYKAKP-IHRVNFQRSA-N
MW219.37 g/mol
LogP3.70
Rot. Bonds7

About (Z)-2-[(1R)-cyclohexa-2,4-dien-1-yl]-N-methyloct-5-en-1-amine

(Z)-2-[(1R)-cyclohexa-2,4-dien-1-yl]-N-methyloct-5-en-1-amine (PubChem CID 71120082) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is (Z)-2-[(1R)-cyclohexa-2,4-dien-1-yl]-N-methyloct-5-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[(1R)-cyclohexa-2,4-dien-1-yl]-N-methyloct-5-en-1-amine
PubChem CID71120082
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name(Z)-2-[(1R)-cyclohexa-2,4-dien-1-yl]-N-methyloct-5-en-1-amine
SMILESCC/C=C\CCC(CNC)[C@H]1C=CC=CC1
InChIInChI=1S/C15H25N/c1-3-4-5-7-12-15(13-16-2)14-10-8-6-9-11-14/h4-6,8-10,14-16H,3,7,11-13H2,1-2H3/b5-4-/t14-,15?/m0/s1
InChIKeyKREOQCZFRYKAKP-IHRVNFQRSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(1R)-cyclohexa-2,4-dien-1-yl]-N-methyloct-5-en-1-amine?
The IUPAC name of (Z)-2-[(1R)-cyclohexa-2,4-dien-1-yl]-N-methyloct-5-en-1-amine (CID 71120082) is (Z)-2-[(1R)-cyclohexa-2,4-dien-1-yl]-N-methyloct-5-en-1-amine.
What is the SMILES notation for (Z)-2-[(1R)-cyclohexa-2,4-dien-1-yl]-N-methyloct-5-en-1-amine?
The canonical SMILES for (Z)-2-[(1R)-cyclohexa-2,4-dien-1-yl]-N-methyloct-5-en-1-amine is CC/C=C\CCC(CNC)[C@H]1C=CC=CC1.
What is the InChIKey of (Z)-2-[(1R)-cyclohexa-2,4-dien-1-yl]-N-methyloct-5-en-1-amine?
The InChIKey is KREOQCZFRYKAKP-IHRVNFQRSA-N. The full InChI is InChI=1S/C15H25N/c1-3-4-5-7-12-15(13-16-2)14-10-8-6-9-11-14/h4-6,8-10,14-16H,3,7,11-13H2,1-2H3/b5-4-/t14-,15?/m0/s1.
What are the key properties of (Z)-2-[(1R)-cyclohexa-2,4-dien-1-yl]-N-methyloct-5-en-1-amine?
(Z)-2-[(1R)-cyclohexa-2,4-dien-1-yl]-N-methyloct-5-en-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(1R)-cyclohexa-2,4-dien-1-yl]-N-methyloct-5-en-1-amine is sourced from PubChem (CID 71120082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).