1-quinolin-5-ylpent-4-en-1-amine

C14H16N2 — CID 105153398

IUPAC1-quinolin-5-ylpent-4-en-1-amine
SMILESC=CCCC(N)c1cccc2ncccc12
InChIInChI=1S/C14H16N2/c1-2-3-8-13(15)11-6-4-9-14-12(11)7-5-10-16-14/h2,4-7,9-10,13H,1,3,8,15H2
InChIKeyDVJISEDUBYBIDM-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.20
Rot. Bonds4

About 1-quinolin-5-ylpent-4-en-1-amine

1-quinolin-5-ylpent-4-en-1-amine (PubChem CID 105153398) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 1-quinolin-5-ylpent-4-en-1-amine.

Molecular Properties

Compound Name1-quinolin-5-ylpent-4-en-1-amine
PubChem CID105153398
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name1-quinolin-5-ylpent-4-en-1-amine
SMILESC=CCCC(N)c1cccc2ncccc12
InChIInChI=1S/C14H16N2/c1-2-3-8-13(15)11-6-4-9-14-12(11)7-5-10-16-14/h2,4-7,9-10,13H,1,3,8,15H2
InChIKeyDVJISEDUBYBIDM-UHFFFAOYSA-N
XLogP3.20
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-quinolin-5-ylpentan-1-amine
CID 81232092
(1R)-1-naphthalen-1-ylpent-4-en-1-amine;hydrochloride
CID 171212052
1-quinolin-5-ylethane-1,2-diamine
CID 55275195
(1R)-1-quinolin-5-ylethane-1,2-diamine
CID 66516625
N',N'-dimethyl-1-quinolin-5-ylpropane-1,3-diamine
CID 113291189
N-methyl-1-quinolin-5-ylhex-5-en-1-amine
CID 105153263
2-cyclopropyl-1-quinolin-5-ylethanamine
CID 79015948
3-cyclopentyl-1-quinolin-5-ylpropan-1-amine
CID 105020216
(1R)-1-quinolin-5-ylethanamine
CID 55277010
4-ethylsulfonyl-1-quinolin-5-ylbutan-1-amine
CID 105152572
2-(2,6-dichlorophenyl)-1-quinolin-5-ylethanamine
CID 81227860
2-tert-butylsulfanyl-1-quinolin-5-ylethanamine
CID 81231907

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-5-ylpent-4-en-1-amine?
The IUPAC name of 1-quinolin-5-ylpent-4-en-1-amine (CID 105153398) is 1-quinolin-5-ylpent-4-en-1-amine.
What is the SMILES notation for 1-quinolin-5-ylpent-4-en-1-amine?
The canonical SMILES for 1-quinolin-5-ylpent-4-en-1-amine is C=CCCC(N)c1cccc2ncccc12.
What is the InChIKey of 1-quinolin-5-ylpent-4-en-1-amine?
The InChIKey is DVJISEDUBYBIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-2-3-8-13(15)11-6-4-9-14-12(11)7-5-10-16-14/h2,4-7,9-10,13H,1,3,8,15H2.
What are the key properties of 1-quinolin-5-ylpent-4-en-1-amine?
1-quinolin-5-ylpent-4-en-1-amine has a molecular weight of 212.30 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-5-ylpent-4-en-1-amine is sourced from PubChem (CID 105153398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).