N-[3,4-dihydro-2H-pyran-6-yl-(3-methylcyclopentyl)methyl]ethanamine

C14H25NO — CID 102647603

IUPACN-[3,4-dihydro-2H-pyran-6-yl-(3-methylcyclopentyl)methyl]ethanamine
SMILESCCNC(C1=CCCCO1)C1CCC(C)C1
InChIInChI=1S/C14H25NO/c1-3-15-14(12-8-7-11(2)10-12)13-6-4-5-9-16-13/h6,11-12,14-15H,3-5,7-10H2,1-2H3
InChIKeyJTFBTUITJIIAQT-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.10
Rot. Bonds4

About N-[3,4-dihydro-2H-pyran-6-yl-(3-methylcyclopentyl)methyl]ethanamine

N-[3,4-dihydro-2H-pyran-6-yl-(3-methylcyclopentyl)methyl]ethanamine (PubChem CID 102647603) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-pyran-6-yl-(3-methylcyclopentyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-pyran-6-yl-(3-methylcyclopentyl)methyl]ethanamine
PubChem CID102647603
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-[3,4-dihydro-2H-pyran-6-yl-(3-methylcyclopentyl)methyl]ethanamine
SMILESCCNC(C1=CCCCO1)C1CCC(C)C1
InChIInChI=1S/C14H25NO/c1-3-15-14(12-8-7-11(2)10-12)13-6-4-5-9-16-13/h6,11-12,14-15H,3-5,7-10H2,1-2H3
InChIKeyJTFBTUITJIIAQT-UHFFFAOYSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl-(3-methylcyclopentyl)methyl]ethanamine?
The IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl-(3-methylcyclopentyl)methyl]ethanamine (CID 102647603) is N-[3,4-dihydro-2H-pyran-6-yl-(3-methylcyclopentyl)methyl]ethanamine.
What is the SMILES notation for N-[3,4-dihydro-2H-pyran-6-yl-(3-methylcyclopentyl)methyl]ethanamine?
The canonical SMILES for N-[3,4-dihydro-2H-pyran-6-yl-(3-methylcyclopentyl)methyl]ethanamine is CCNC(C1=CCCCO1)C1CCC(C)C1.
What is the InChIKey of N-[3,4-dihydro-2H-pyran-6-yl-(3-methylcyclopentyl)methyl]ethanamine?
The InChIKey is JTFBTUITJIIAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-15-14(12-8-7-11(2)10-12)13-6-4-5-9-16-13/h6,11-12,14-15H,3-5,7-10H2,1-2H3.
What are the key properties of N-[3,4-dihydro-2H-pyran-6-yl-(3-methylcyclopentyl)methyl]ethanamine?
N-[3,4-dihydro-2H-pyran-6-yl-(3-methylcyclopentyl)methyl]ethanamine has a molecular weight of 223.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydro-2H-pyran-6-yl-(3-methylcyclopentyl)methyl]ethanamine is sourced from PubChem (CID 102647603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).