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

C17H31NO — CID 102647580

IUPACN-[3,4-dihydro-2H-pyran-6-yl-(4-ethylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCO1)C1CCC(CC)CC1
InChIInChI=1S/C17H31NO/c1-3-12-18-17(16-7-5-6-13-19-16)15-10-8-14(4-2)9-11-15/h7,14-15,17-18H,3-6,8-13H2,1-2H3
InChIKeyFXDSFQKVHINVMB-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.27
Rot. Bonds6

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

N-[3,4-dihydro-2H-pyran-6-yl-(4-ethylcyclohexyl)methyl]propan-1-amine (PubChem CID 102647580) 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-ethylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-pyran-6-yl-(4-ethylcyclohexyl)methyl]propan-1-amine
PubChem CID102647580
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC NameN-[3,4-dihydro-2H-pyran-6-yl-(4-ethylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCO1)C1CCC(CC)CC1
InChIInChI=1S/C17H31NO/c1-3-12-18-17(16-7-5-6-13-19-16)15-10-8-14(4-2)9-11-15/h7,14-15,17-18H,3-6,8-13H2,1-2H3
InChIKeyFXDSFQKVHINVMB-UHFFFAOYSA-N
XLogP4.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[3,4-dihydro-2H-pyran-6-yl-(4-ethylcyclohexyl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl-(4-ethylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl-(4-ethylcyclohexyl)methyl]propan-1-amine (CID 102647580) is N-[3,4-dihydro-2H-pyran-6-yl-(4-ethylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[3,4-dihydro-2H-pyran-6-yl-(4-ethylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[3,4-dihydro-2H-pyran-6-yl-(4-ethylcyclohexyl)methyl]propan-1-amine is CCCNC(C1=CCCCO1)C1CCC(CC)CC1.
What is the InChIKey of N-[3,4-dihydro-2H-pyran-6-yl-(4-ethylcyclohexyl)methyl]propan-1-amine?
The InChIKey is FXDSFQKVHINVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-3-12-18-17(16-7-5-6-13-19-16)15-10-8-14(4-2)9-11-15/h7,14-15,17-18H,3-6,8-13H2,1-2H3.
What are the key properties of N-[3,4-dihydro-2H-pyran-6-yl-(4-ethylcyclohexyl)methyl]propan-1-amine?
N-[3,4-dihydro-2H-pyran-6-yl-(4-ethylcyclohexyl)methyl]propan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 4.27, 6 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-ethylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 102647580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).