3-cyclopentyl-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine

C13H23NO — CID 102648981

IUPAC3-cyclopentyl-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine
SMILESNC(CCC1CCCC1)C1=CCCCO1
InChIInChI=1S/C13H23NO/c14-12(13-7-3-4-10-15-13)9-8-11-5-1-2-6-11/h7,11-12H,1-6,8-10,14H2
InChIKeyAZUMTKRQIXNDRR-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.98
Rot. Bonds4

About 3-cyclopentyl-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine

3-cyclopentyl-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine (PubChem CID 102648981) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 3-cyclopentyl-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine
PubChem CID102648981
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name3-cyclopentyl-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine
SMILESNC(CCC1CCCC1)C1=CCCCO1
InChIInChI=1S/C13H23NO/c14-12(13-7-3-4-10-15-13)9-8-11-5-1-2-6-11/h7,11-12H,1-6,8-10,14H2
InChIKeyAZUMTKRQIXNDRR-UHFFFAOYSA-N
XLogP2.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102649150
2,3-Dihydrofuran-5-yl-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 102653077
(4,4-Difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methanamine
CID 102653305
2,3-Dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 102653422
2,3-Dihydrofuran-5-yl-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 102653653
3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 113720519
cyclopentyl-(2,2-dimethyl-3H-furan-5-yl)methanamine
CID 142810465
3-(Oxan-4-ylmethyl)cyclopent-2-en-1-amine
CID 65174465
3-(Oxan-4-yl)cyclopent-2-en-1-amine
CID 65174636
2-Cyclohex-3-en-1-yloxolan-3-amine
CID 79365764
3-(6-Oxaspiro[4.5]decan-9-yl)cyclohex-2-en-1-amine
CID 79922489
3-(6-Oxaspiro[4.5]decan-9-yl)cyclopent-2-en-1-amine
CID 79923891

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine?
The IUPAC name of 3-cyclopentyl-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine (CID 102648981) is 3-cyclopentyl-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine.
What is the SMILES notation for 3-cyclopentyl-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine?
The canonical SMILES for 3-cyclopentyl-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine is NC(CCC1CCCC1)C1=CCCCO1.
What is the InChIKey of 3-cyclopentyl-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine?
The InChIKey is AZUMTKRQIXNDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c14-12(13-7-3-4-10-15-13)9-8-11-5-1-2-6-11/h7,11-12H,1-6,8-10,14H2.
What are the key properties of 3-cyclopentyl-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine?
3-cyclopentyl-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine has a molecular weight of 209.33 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine is sourced from PubChem (CID 102648981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).