3,4-dihydro-2H-pyran-6-yl-[1-(2-methylpropyl)cyclopentyl]methanamine

C15H27NO — CID 102649304

IUPAC3,4-dihydro-2H-pyran-6-yl-[1-(2-methylpropyl)cyclopentyl]methanamine
SMILESCC(C)CC1(C(N)C2=CCCCO2)CCCC1
InChIInChI=1S/C15H27NO/c1-12(2)11-15(8-4-5-9-15)14(16)13-7-3-6-10-17-13/h7,12,14H,3-6,8-11,16H2,1-2H3
InChIKeyLTJHSWFGRVVIFP-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.61
Rot. Bonds4

About 3,4-dihydro-2H-pyran-6-yl-[1-(2-methylpropyl)cyclopentyl]methanamine

3,4-dihydro-2H-pyran-6-yl-[1-(2-methylpropyl)cyclopentyl]methanamine (PubChem CID 102649304) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-[1-(2-methylpropyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-[1-(2-methylpropyl)cyclopentyl]methanamine
PubChem CID102649304
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name3,4-dihydro-2H-pyran-6-yl-[1-(2-methylpropyl)cyclopentyl]methanamine
SMILESCC(C)CC1(C(N)C2=CCCCO2)CCCC1
InChIInChI=1S/C15H27NO/c1-12(2)11-15(8-4-5-9-15)14(16)13-7-3-6-10-17-13/h7,12,14H,3-6,8-11,16H2,1-2H3
InChIKeyLTJHSWFGRVVIFP-UHFFFAOYSA-N
XLogP3.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,4-dihydro-2H-pyran-6-yl-[1-(2-methylpropyl)cyclopentyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methanamine
CID 102647873
[3,4-dihydro-2H-pyran-6-yl-(1-ethylcyclopentyl)methyl]hydrazine
CID 102650304
3,4-dihydro-2H-pyran-6-yl-(4-ethoxyoxan-4-yl)methanamine
CID 102648122
3,4-dihydro-2H-pyran-5-yl-[1-(2-methylpropyl)cyclopentyl]methanamine
CID 105033152
2-butan-2-ylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
CID 102647531
2-tert-butylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
CID 102647524
1-(2,3-dihydrofuran-5-yl)-3-methylbutan-1-amine
CID 102651213
2,3-dihydrofuran-5-yl-(1-methoxycycloheptyl)methanamine
CID 102652274
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-methylbutan-1-amine
CID 102647187
3,4-dihydro-2H-pyran-6-yl-(4-phenyloxan-4-yl)methanamine
CID 102647412
3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoro-2-methylpropan-1-amine
CID 130604666
1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-2-methylbutan-1-amine
CID 102648095

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-[1-(2-methylpropyl)cyclopentyl]methanamine?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-[1-(2-methylpropyl)cyclopentyl]methanamine (CID 102649304) is 3,4-dihydro-2H-pyran-6-yl-[1-(2-methylpropyl)cyclopentyl]methanamine.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-[1-(2-methylpropyl)cyclopentyl]methanamine?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-[1-(2-methylpropyl)cyclopentyl]methanamine is CC(C)CC1(C(N)C2=CCCCO2)CCCC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-[1-(2-methylpropyl)cyclopentyl]methanamine?
The InChIKey is LTJHSWFGRVVIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-12(2)11-15(8-4-5-9-15)14(16)13-7-3-6-10-17-13/h7,12,14H,3-6,8-11,16H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-[1-(2-methylpropyl)cyclopentyl]methanamine?
3,4-dihydro-2H-pyran-6-yl-[1-(2-methylpropyl)cyclopentyl]methanamine has a molecular weight of 237.39 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 3,4-dihydro-2H-pyran-6-yl-[1-(2-methylpropyl)cyclopentyl]methanamine is sourced from PubChem (CID 102649304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).