N-prop-2-enyl-N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]prop-2-en-1-amine

C17H24N2 — CID 82255731

IUPACN-prop-2-enyl-N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]prop-2-en-1-amine
SMILESC=CCN(CC=C)CCc1ccc2c(c1)CCCN2
InChIInChI=1S/C17H24N2/c1-3-11-19(12-4-2)13-9-15-7-8-17-16(14-15)6-5-10-18-17/h3-4,7-8,14,18H,1-2,5-6,9-13H2
InChIKeyMYZZRDUEBZHGKU-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.26
Rot. Bonds7

About N-prop-2-enyl-N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]prop-2-en-1-amine

N-prop-2-enyl-N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]prop-2-en-1-amine (PubChem CID 82255731) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-prop-2-enyl-N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-prop-2-enyl-N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]prop-2-en-1-amine
PubChem CID82255731
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC NameN-prop-2-enyl-N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]prop-2-en-1-amine
SMILESC=CCN(CC=C)CCc1ccc2c(c1)CCCN2
InChIInChI=1S/C17H24N2/c1-3-11-19(12-4-2)13-9-15-7-8-17-16(14-15)6-5-10-18-17/h3-4,7-8,14,18H,1-2,5-6,9-13H2
InChIKeyMYZZRDUEBZHGKU-UHFFFAOYSA-N
XLogP3.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.26
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

2-(2,3-dihydro-1H-indol-5-yl)-N,N-diethylethanamine
CID 82255784
6-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 63968254
4-(1,2,3,4-tetrahydroquinolin-6-yl)butanal
CID 164919422
6-(3,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline
CID 106778864
6-(2-cyclohexylethyl)-1,2,3,4-tetrahydroquinoline
CID 114192887
N',N'-dimethyl-N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]propane-1,3-diamine
CID 82256820
N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]cyclopropanamine
CID 82256847
6-[2-(2,4,6-trimethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 63968458
6-(2-piperidin-4-ylethyl)-1,2,3,4-tetrahydroquinoline
CID 116997911
2-(1,2,3,4-tetrahydroquinolin-6-yl)acetonitrile
CID 116997937
6-(cyclobutylmethyl)-1,2,3,4-tetrahydroquinoline
CID 106779249
N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]cycloheptanamine
CID 82256808

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]prop-2-en-1-amine?
The IUPAC name of N-prop-2-enyl-N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]prop-2-en-1-amine (CID 82255731) is N-prop-2-enyl-N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]prop-2-en-1-amine.
What is the SMILES notation for N-prop-2-enyl-N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]prop-2-en-1-amine?
The canonical SMILES for N-prop-2-enyl-N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]prop-2-en-1-amine is C=CCN(CC=C)CCc1ccc2c(c1)CCCN2.
What is the InChIKey of N-prop-2-enyl-N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]prop-2-en-1-amine?
The InChIKey is MYZZRDUEBZHGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-3-11-19(12-4-2)13-9-15-7-8-17-16(14-15)6-5-10-18-17/h3-4,7-8,14,18H,1-2,5-6,9-13H2.
What are the key properties of N-prop-2-enyl-N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]prop-2-en-1-amine?
N-prop-2-enyl-N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]prop-2-en-1-amine has a molecular weight of 256.39 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 82255731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).