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

C14H25NO — CID 102647214

IUPACN-[cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCO1)C1CCCCC1
InChIInChI=1S/C14H25NO/c1-2-15-14(12-8-4-3-5-9-12)13-10-6-7-11-16-13/h10,12,14-15H,2-9,11H2,1H3
InChIKeyIARHNKDDTYSNDQ-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.24
Rot. Bonds4

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

N-[cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine (PubChem CID 102647214) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
PubChem CID102647214
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-[cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCO1)C1CCCCC1
InChIInChI=1S/C14H25NO/c1-2-15-14(12-8-4-3-5-9-12)13-10-6-7-11-16-13/h10,12,14-15H,2-9,11H2,1H3
InChIKeyIARHNKDDTYSNDQ-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine?
The IUPAC name of N-[cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine (CID 102647214) is N-[cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine.
What is the SMILES notation for N-[cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine?
The canonical SMILES for N-[cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine is CCNC(C1=CCCCO1)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine?
The InChIKey is IARHNKDDTYSNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-15-14(12-8-4-3-5-9-12)13-10-6-7-11-16-13/h10,12,14-15H,2-9,11H2,1H3.
What are the key properties of N-[cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine?
N-[cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine has a molecular weight of 223.36 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine is sourced from PubChem (CID 102647214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).