N-[3,4-dihydro-2H-pyran-6-yl-(4-propylcyclohexyl)methyl]propan-1-amine

C18H33NO — CID 102647591

IUPACN-[3,4-dihydro-2H-pyran-6-yl-(4-propylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCO1)C1CCC(CCC)CC1
InChIInChI=1S/C18H33NO/c1-3-7-15-9-11-16(12-10-15)18(19-13-4-2)17-8-5-6-14-20-17/h8,15-16,18-19H,3-7,9-14H2,1-2H3
InChIKeyJEGGDPAESMYTGA-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.66
Rot. Bonds7

About N-[3,4-dihydro-2H-pyran-6-yl-(4-propylcyclohexyl)methyl]propan-1-amine

N-[3,4-dihydro-2H-pyran-6-yl-(4-propylcyclohexyl)methyl]propan-1-amine (PubChem CID 102647591) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-pyran-6-yl-(4-propylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-pyran-6-yl-(4-propylcyclohexyl)methyl]propan-1-amine
PubChem CID102647591
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC NameN-[3,4-dihydro-2H-pyran-6-yl-(4-propylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCO1)C1CCC(CCC)CC1
InChIInChI=1S/C18H33NO/c1-3-7-15-9-11-16(12-10-15)18(19-13-4-2)17-8-5-6-14-20-17/h8,15-16,18-19H,3-7,9-14H2,1-2H3
InChIKeyJEGGDPAESMYTGA-UHFFFAOYSA-N
XLogP4.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.66
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-propylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl-(4-propylcyclohexyl)methyl]propan-1-amine (CID 102647591) is N-[3,4-dihydro-2H-pyran-6-yl-(4-propylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[3,4-dihydro-2H-pyran-6-yl-(4-propylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[3,4-dihydro-2H-pyran-6-yl-(4-propylcyclohexyl)methyl]propan-1-amine is CCCNC(C1=CCCCO1)C1CCC(CCC)CC1.
What is the InChIKey of N-[3,4-dihydro-2H-pyran-6-yl-(4-propylcyclohexyl)methyl]propan-1-amine?
The InChIKey is JEGGDPAESMYTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-3-7-15-9-11-16(12-10-15)18(19-13-4-2)17-8-5-6-14-20-17/h8,15-16,18-19H,3-7,9-14H2,1-2H3.
What are the key properties of N-[3,4-dihydro-2H-pyran-6-yl-(4-propylcyclohexyl)methyl]propan-1-amine?
N-[3,4-dihydro-2H-pyran-6-yl-(4-propylcyclohexyl)methyl]propan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 4.66, 7 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-propylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 102647591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).