N-[[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)cyclobutyl]methyl]propan-2-amine

C18H28N2 — CID 81005058

IUPACN-[[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)cyclobutyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC1N1CCCCc2ccccc21
InChIInChI=1S/C18H28N2/c1-14(2)19-13-16-10-11-18(16)20-12-6-5-8-15-7-3-4-9-17(15)20/h3-4,7,9,14,16,18-19H,5-6,8,10-13H2,1-2H3
InChIKeyLITYKJCQKAADNZ-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.61
Rot. Bonds4

About N-[[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)cyclobutyl]methyl]propan-2-amine

N-[[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)cyclobutyl]methyl]propan-2-amine (PubChem CID 81005058) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)cyclobutyl]methyl]propan-2-amine
PubChem CID81005058
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-[[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)cyclobutyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC1N1CCCCc2ccccc21
InChIInChI=1S/C18H28N2/c1-14(2)19-13-16-10-11-18(16)20-12-6-5-8-15-7-3-4-9-17(15)20/h3-4,7,9,14,16,18-19H,5-6,8,10-13H2,1-2H3
InChIKeyLITYKJCQKAADNZ-UHFFFAOYSA-N
XLogP3.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)cyclobutyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)cyclobutyl]methyl]propan-2-amine
CID 81005133
2-(3,4-dihydro-2H-quinolin-1-yl)-N-propan-2-ylpropan-1-amine
CID 62425260
2-methyl-N-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclobutyl]methyl]propan-1-amine
CID 80999777
1-(1-propan-2-ylpiperidin-4-yl)-3,4-dihydro-2H-quinoline
CID 23570249
methane;1-methyl-2,3,4,5-tetrahydro-1-benzazepine
CID 161272103
[2-(3,4-dihydro-2H-quinolin-1-yl)-4-propylcyclohexyl]methanamine
CID 43293445
2-methyl-N-[[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methyl]propan-1-amine
CID 80999782
N-[[2-(2-methylazepan-1-yl)cyclobutyl]methyl]propan-2-amine
CID 81005662
2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine
CID 13380222
N-[[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methyl]propan-1-amine
CID 81005492
2-(3,4-dihydro-2H-quinolin-1-yl)cyclohexane-1-carbonitrile
CID 43291742
1-[2-(aminomethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-methylpropan-1-one
CID 165476705

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)cyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)cyclobutyl]methyl]propan-2-amine (CID 81005058) is N-[[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)cyclobutyl]methyl]propan-2-amine is CC(C)NCC1CCC1N1CCCCc2ccccc21.
What is the InChIKey of N-[[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)cyclobutyl]methyl]propan-2-amine?
The InChIKey is LITYKJCQKAADNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-14(2)19-13-16-10-11-18(16)20-12-6-5-8-15-7-3-4-9-17(15)20/h3-4,7,9,14,16,18-19H,5-6,8,10-13H2,1-2H3.
What are the key properties of N-[[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)cyclobutyl]methyl]propan-2-amine?
N-[[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)cyclobutyl]methyl]propan-2-amine has a molecular weight of 272.44 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 81005058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).