N-[(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methyl]cyclobutanamine

C15H22N2 — CID 105488638

IUPACN-[(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methyl]cyclobutanamine
SMILESCc1ccc2c(c1)NCCC2CNC1CCC1
InChIInChI=1S/C15H22N2/c1-11-5-6-14-12(7-8-16-15(14)9-11)10-17-13-3-2-4-13/h5-6,9,12-13,16-17H,2-4,7-8,10H2,1H3
InChIKeyHDGKDTLUIYUOLK-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.04
Rot. Bonds3

About N-[(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methyl]cyclobutanamine

N-[(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methyl]cyclobutanamine (PubChem CID 105488638) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-[(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methyl]cyclobutanamine
PubChem CID105488638
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC NameN-[(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methyl]cyclobutanamine
SMILESCc1ccc2c(c1)NCCC2CNC1CCC1
InChIInChI=1S/C15H22N2/c1-11-5-6-14-12(7-8-16-15(14)9-11)10-17-13-3-2-4-13/h5-6,9,12-13,16-17H,2-4,7-8,10H2,1H3
InChIKeyHDGKDTLUIYUOLK-UHFFFAOYSA-N
XLogP3.04
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(8-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methyl]cyclobutanamine
CID 105488633
7-methyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 82275529
2-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)acetic acid
CID 82276200
N-cyclopropyl-7-methyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 105454809
N,N,7-trimethyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 82275530
4-(azetidin-1-ylmethyl)-6-methyl-1,2,3,4-tetrahydroquinoline
CID 105470409
4-iodo-6-methyl-1,2,3,4-tetrahydroquinoline
CID 130774875
4-fluoro-6-methyl-1,2,3,4-tetrahydroquinoline
CID 84717052
7-methyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline
CID 70172969
N-methyl-1-(1,2,3,4-tetrahydroquinolin-4-yl)methanamine;hydrochloride
CID 165145771
(4S)-4-ethyl-1,2,3,4-tetrahydroquinolin-7-ol
CID 70161946
4-(2-methoxyethyl)-6-methyl-1,2,3,4-tetrahydroquinoline
CID 84620577

Frequently Asked Questions

What is the IUPAC name of N-[(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methyl]cyclobutanamine?
The IUPAC name of N-[(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methyl]cyclobutanamine (CID 105488638) is N-[(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methyl]cyclobutanamine?
The canonical SMILES for N-[(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methyl]cyclobutanamine is Cc1ccc2c(c1)NCCC2CNC1CCC1.
What is the InChIKey of N-[(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methyl]cyclobutanamine?
The InChIKey is HDGKDTLUIYUOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-11-5-6-14-12(7-8-16-15(14)9-11)10-17-13-3-2-4-13/h5-6,9,12-13,16-17H,2-4,7-8,10H2,1H3.
What are the key properties of N-[(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methyl]cyclobutanamine?
N-[(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methyl]cyclobutanamine has a molecular weight of 230.35 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methyl]cyclobutanamine is sourced from PubChem (CID 105488638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).