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

C17H31NO — CID 102647593

IUPACN-[3,4-dihydro-2H-pyran-6-yl-(4-propan-2-ylcyclohexyl)methyl]ethanamine
SMILESCCNC(C1=CCCCO1)C1CCC(C(C)C)CC1
InChIInChI=1S/C17H31NO/c1-4-18-17(16-7-5-6-12-19-16)15-10-8-14(9-11-15)13(2)3/h7,13-15,17-18H,4-6,8-12H2,1-3H3
InChIKeyNGAVGROPDIMZNN-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.12
Rot. Bonds5

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

N-[3,4-dihydro-2H-pyran-6-yl-(4-propan-2-ylcyclohexyl)methyl]ethanamine (PubChem CID 102647593) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-pyran-6-yl-(4-propan-2-ylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-pyran-6-yl-(4-propan-2-ylcyclohexyl)methyl]ethanamine
PubChem CID102647593
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC NameN-[3,4-dihydro-2H-pyran-6-yl-(4-propan-2-ylcyclohexyl)methyl]ethanamine
SMILESCCNC(C1=CCCCO1)C1CCC(C(C)C)CC1
InChIInChI=1S/C17H31NO/c1-4-18-17(16-7-5-6-12-19-16)15-10-8-14(9-11-15)13(2)3/h7,13-15,17-18H,4-6,8-12H2,1-3H3
InChIKeyNGAVGROPDIMZNN-UHFFFAOYSA-N
XLogP4.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.12
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-(4-propan-2-ylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl-(4-propan-2-ylcyclohexyl)methyl]ethanamine (CID 102647593) is N-[3,4-dihydro-2H-pyran-6-yl-(4-propan-2-ylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[3,4-dihydro-2H-pyran-6-yl-(4-propan-2-ylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[3,4-dihydro-2H-pyran-6-yl-(4-propan-2-ylcyclohexyl)methyl]ethanamine is CCNC(C1=CCCCO1)C1CCC(C(C)C)CC1.
What is the InChIKey of N-[3,4-dihydro-2H-pyran-6-yl-(4-propan-2-ylcyclohexyl)methyl]ethanamine?
The InChIKey is NGAVGROPDIMZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-4-18-17(16-7-5-6-12-19-16)15-10-8-14(9-11-15)13(2)3/h7,13-15,17-18H,4-6,8-12H2,1-3H3.
What are the key properties of N-[3,4-dihydro-2H-pyran-6-yl-(4-propan-2-ylcyclohexyl)methyl]ethanamine?
N-[3,4-dihydro-2H-pyran-6-yl-(4-propan-2-ylcyclohexyl)methyl]ethanamine has a molecular weight of 265.44 g/mol, XLogP of 4.12, 5 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-(4-propan-2-ylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 102647593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).