N-butan-2-yl-1,2,3,4-tetrahydroquinolin-7-amine

C13H20N2 — CID 79676970

IUPACN-butan-2-yl-1,2,3,4-tetrahydroquinolin-7-amine
SMILESCCC(C)Nc1ccc2c(c1)NCCC2
InChIInChI=1S/C13H20N2/c1-3-10(2)15-12-7-6-11-5-4-8-14-13(11)9-12/h6-7,9-10,14-15H,3-5,8H2,1-2H3
InChIKeyNCIIVLBEONMARA-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.26
Rot. Bonds3

About N-butan-2-yl-1,2,3,4-tetrahydroquinolin-7-amine

N-butan-2-yl-1,2,3,4-tetrahydroquinolin-7-amine (PubChem CID 79676970) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-butan-2-yl-1,2,3,4-tetrahydroquinolin-7-amine.

Molecular Properties

Compound NameN-butan-2-yl-1,2,3,4-tetrahydroquinolin-7-amine
PubChem CID79676970
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-butan-2-yl-1,2,3,4-tetrahydroquinolin-7-amine
SMILESCCC(C)Nc1ccc2c(c1)NCCC2
InChIInChI=1S/C13H20N2/c1-3-10(2)15-12-7-6-11-5-4-8-14-13(11)9-12/h6-7,9-10,14-15H,3-5,8H2,1-2H3
InChIKeyNCIIVLBEONMARA-UHFFFAOYSA-N
XLogP3.26
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1,2,3,4-tetrahydroquinolin-7-amine?
The IUPAC name of N-butan-2-yl-1,2,3,4-tetrahydroquinolin-7-amine (CID 79676970) is N-butan-2-yl-1,2,3,4-tetrahydroquinolin-7-amine.
What is the SMILES notation for N-butan-2-yl-1,2,3,4-tetrahydroquinolin-7-amine?
The canonical SMILES for N-butan-2-yl-1,2,3,4-tetrahydroquinolin-7-amine is CCC(C)Nc1ccc2c(c1)NCCC2.
What is the InChIKey of N-butan-2-yl-1,2,3,4-tetrahydroquinolin-7-amine?
The InChIKey is NCIIVLBEONMARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-3-10(2)15-12-7-6-11-5-4-8-14-13(11)9-12/h6-7,9-10,14-15H,3-5,8H2,1-2H3.
What are the key properties of N-butan-2-yl-1,2,3,4-tetrahydroquinolin-7-amine?
N-butan-2-yl-1,2,3,4-tetrahydroquinolin-7-amine has a molecular weight of 204.32 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1,2,3,4-tetrahydroquinolin-7-amine is sourced from PubChem (CID 79676970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).