N-(2-methylpropyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)pent-3-en-1-amine

C18H28N2 — CID 79738717

IUPACN-(2-methylpropyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)pent-3-en-1-amine
SMILESCC(=CCCNCC(C)C)C1CCCc2cccnc21
InChIInChI=1S/C18H28N2/c1-14(2)13-19-11-5-7-15(3)17-10-4-8-16-9-6-12-20-18(16)17/h6-7,9,12,14,17,19H,4-5,8,10-11,13H2,1-3H3
InChIKeyAEDFQQOTIYEOBK-UHFFFAOYSA-N
MW272.44 g/mol
LogP4.08
Rot. Bonds6

About N-(2-methylpropyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)pent-3-en-1-amine

N-(2-methylpropyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)pent-3-en-1-amine (PubChem CID 79738717) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)pent-3-en-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)pent-3-en-1-amine
PubChem CID79738717
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-(2-methylpropyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)pent-3-en-1-amine
SMILESCC(=CCCNCC(C)C)C1CCCc2cccnc21
InChIInChI=1S/C18H28N2/c1-14(2)13-19-11-5-7-15(3)17-10-4-8-16-9-6-12-20-18(16)17/h6-7,9,12,14,17,19H,4-5,8,10-11,13H2,1-3H3
InChIKeyAEDFQQOTIYEOBK-UHFFFAOYSA-N
XLogP4.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine
CID 79738216
3-amino-2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 116612266
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
N-propan-2-yl-4-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine
CID 79737614
4-(methylamino)-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 116555632
3,5,5-trimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-one
CID 115782125
3-[2-methyl-5-(2-methylpropylamino)pent-2-enyl]pyridin-2-amine
CID 79606813
3-(aminomethyl)-5-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-one
CID 116576909
1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79739208
2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid
CID 130855424
2-methylsulfonyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 115782115
(3-propan-2-ylpyrrolidin-3-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 106982195

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)pent-3-en-1-amine?
The IUPAC name of N-(2-methylpropyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)pent-3-en-1-amine (CID 79738717) is N-(2-methylpropyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)pent-3-en-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)pent-3-en-1-amine?
The canonical SMILES for N-(2-methylpropyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)pent-3-en-1-amine is CC(=CCCNCC(C)C)C1CCCc2cccnc21.
What is the InChIKey of N-(2-methylpropyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)pent-3-en-1-amine?
The InChIKey is AEDFQQOTIYEOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-14(2)13-19-11-5-7-15(3)17-10-4-8-16-9-6-12-20-18(16)17/h6-7,9,12,14,17,19H,4-5,8,10-11,13H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)pent-3-en-1-amine?
N-(2-methylpropyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)pent-3-en-1-amine has a molecular weight of 272.44 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)pent-3-en-1-amine is sourced from PubChem (CID 79738717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).