N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)cyclobutyl]methyl]propan-1-amine

C16H30N2 — CID 82753410

IUPACN-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)cyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1CCC1N1CCC2CCCCC21
InChIInChI=1S/C16H30N2/c1-2-10-17-12-14-7-8-16(14)18-11-9-13-5-3-4-6-15(13)18/h13-17H,2-12H2,1H3
InChIKeyPPTNKYXOJIZDMR-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.03
Rot. Bonds5

About N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)cyclobutyl]methyl]propan-1-amine

N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)cyclobutyl]methyl]propan-1-amine (PubChem CID 82753410) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)cyclobutyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)cyclobutyl]methyl]propan-1-amine
PubChem CID82753410
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC NameN-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)cyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1CCC1N1CCC2CCCCC21
InChIInChI=1S/C16H30N2/c1-2-10-17-12-14-7-8-16(14)18-11-9-13-5-3-4-6-15(13)18/h13-17H,2-12H2,1H3
InChIKeyPPTNKYXOJIZDMR-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)cyclobutyl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[2-(2-propylpiperidin-1-yl)cyclobutyl]methyl]propan-1-amine
CID 83061780
N-[[2-(2,3-dimethylpiperidin-1-yl)cyclobutyl]methyl]propan-1-amine
CID 80996996
N-[[2-(4-cyclopentylpiperazin-1-yl)cyclobutyl]methyl]propan-1-amine
CID 80997839
N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]propan-1-amine
CID 99805392
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-propylcyclohexan-1-amine
CID 65320976
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-propylcycloheptan-1-amine
CID 63469924
N-[[2-(3-ethylpiperidin-1-yl)cyclobutyl]methyl]propan-1-amine
CID 80998879
N-[(2-cyclohexylcycloheptyl)methyl]propan-1-amine
CID 81026009
N-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]propan-1-amine
CID 61387310
N-[[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methyl]propan-1-amine
CID 81005492
N-[[2-(2,2,6,6-tetramethylmorpholin-4-yl)cyclobutyl]methyl]propan-1-amine
CID 102746059
N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine
CID 62426894

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)cyclobutyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)cyclobutyl]methyl]propan-1-amine (CID 82753410) is N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)cyclobutyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)cyclobutyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)cyclobutyl]methyl]propan-1-amine is CCCNCC1CCC1N1CCC2CCCCC21.
What is the InChIKey of N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)cyclobutyl]methyl]propan-1-amine?
The InChIKey is PPTNKYXOJIZDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-2-10-17-12-14-7-8-16(14)18-11-9-13-5-3-4-6-15(13)18/h13-17H,2-12H2,1H3.
What are the key properties of N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)cyclobutyl]methyl]propan-1-amine?
N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)cyclobutyl]methyl]propan-1-amine has a molecular weight of 250.43 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)cyclobutyl]methyl]propan-1-amine is sourced from PubChem (CID 82753410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).