3-cyclopentyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-1-amine

C14H25NO — CID 107094618

IUPAC3-cyclopentyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-1-amine
SMILESC1=COC(CNCCCC2CCCC2)CC1
InChIInChI=1S/C14H25NO/c1-2-7-13(6-1)8-5-10-15-12-14-9-3-4-11-16-14/h4,11,13-15H,1-3,5-10,12H2
InChIKeyACDBHHMVWKYTSZ-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.24
Rot. Bonds6

About 3-cyclopentyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-1-amine

3-cyclopentyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-1-amine (PubChem CID 107094618) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-cyclopentyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-1-amine
PubChem CID107094618
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name3-cyclopentyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-1-amine
SMILESC1=COC(CNCCCC2CCCC2)CC1
InChIInChI=1S/C14H25NO/c1-2-7-13(6-1)8-5-10-15-12-14-9-3-4-11-16-14/h4,11,13-15H,1-3,5-10,12H2
InChIKeyACDBHHMVWKYTSZ-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopentyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 60985345
N-(cycloheptylmethyl)-3-cyclopentylpropan-1-amine
CID 106008062
3-cyclohexyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 60985486
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylpropanamide
CID 62064941
methyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanoate
CID 62065434
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 62065650
2-but-3-enoxy-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine
CID 107095209
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylethanesulfonamide
CID 107094808
3-cyclopropyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 102551342
1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cycloheptan-1-ol
CID 65123371
cis-(1S,2R)-N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 124834368
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63829903

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-cyclopentyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-1-amine (CID 107094618) is 3-cyclopentyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-cyclopentyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-cyclopentyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-1-amine is C1=COC(CNCCCC2CCCC2)CC1.
What is the InChIKey of 3-cyclopentyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-1-amine?
The InChIKey is ACDBHHMVWKYTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-7-13(6-1)8-5-10-15-12-14-9-3-4-11-16-14/h4,11,13-15H,1-3,5-10,12H2.
What are the key properties of 3-cyclopentyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-1-amine?
3-cyclopentyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 107094618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).