(E)-1-(2,3,4,5-tetrahydropyridin-6-yl)hept-1-en-2-amine

C12H22N2 — CID 11052534

IUPAC(E)-1-(2,3,4,5-tetrahydropyridin-6-yl)hept-1-en-2-amine
SMILESCCCCC/C(N)=C\C1=NCCCC1
InChIInChI=1S/C12H22N2/c1-2-3-4-7-11(13)10-12-8-5-6-9-14-12/h10H,2-9,13H2,1H3/b11-10+
InChIKeyMBWURMFKDDVVLF-ZHACJKMWSA-N
MW194.32 g/mol
LogP3.03
Rot. Bonds5

About (E)-1-(2,3,4,5-tetrahydropyridin-6-yl)hept-1-en-2-amine

(E)-1-(2,3,4,5-tetrahydropyridin-6-yl)hept-1-en-2-amine (PubChem CID 11052534) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (E)-1-(2,3,4,5-tetrahydropyridin-6-yl)hept-1-en-2-amine.

Molecular Properties

Compound Name(E)-1-(2,3,4,5-tetrahydropyridin-6-yl)hept-1-en-2-amine
PubChem CID11052534
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(E)-1-(2,3,4,5-tetrahydropyridin-6-yl)hept-1-en-2-amine
SMILESCCCCC/C(N)=C\C1=NCCCC1
InChIInChI=1S/C12H22N2/c1-2-3-4-7-11(13)10-12-8-5-6-9-14-12/h10H,2-9,13H2,1H3/b11-10+
InChIKeyMBWURMFKDDVVLF-ZHACJKMWSA-N
XLogP3.03
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,3,4,5-tetrahydropyridin-6-yl)hept-1-en-2-amine?
The IUPAC name of (E)-1-(2,3,4,5-tetrahydropyridin-6-yl)hept-1-en-2-amine (CID 11052534) is (E)-1-(2,3,4,5-tetrahydropyridin-6-yl)hept-1-en-2-amine.
What is the SMILES notation for (E)-1-(2,3,4,5-tetrahydropyridin-6-yl)hept-1-en-2-amine?
The canonical SMILES for (E)-1-(2,3,4,5-tetrahydropyridin-6-yl)hept-1-en-2-amine is CCCCC/C(N)=C\C1=NCCCC1.
What is the InChIKey of (E)-1-(2,3,4,5-tetrahydropyridin-6-yl)hept-1-en-2-amine?
The InChIKey is MBWURMFKDDVVLF-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H22N2/c1-2-3-4-7-11(13)10-12-8-5-6-9-14-12/h10H,2-9,13H2,1H3/b11-10+.
What are the key properties of (E)-1-(2,3,4,5-tetrahydropyridin-6-yl)hept-1-en-2-amine?
(E)-1-(2,3,4,5-tetrahydropyridin-6-yl)hept-1-en-2-amine has a molecular weight of 194.32 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,3,4,5-tetrahydropyridin-6-yl)hept-1-en-2-amine is sourced from PubChem (CID 11052534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).