N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-ethylcyclohexan-1-amine

C14H25NO — CID 115741823

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-ethylcyclohexan-1-amine
SMILESCCC1CCCCC1NCC1=CCCOC1
InChIInChI=1S/C14H25NO/c1-2-13-7-3-4-8-14(13)15-10-12-6-5-9-16-11-12/h6,13-15H,2-5,7-11H2,1H3
InChIKeyDRYZCLOTVQGFFL-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.89
Rot. Bonds4

About N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-ethylcyclohexan-1-amine

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-ethylcyclohexan-1-amine (PubChem CID 115741823) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-ethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-ethylcyclohexan-1-amine
PubChem CID115741823
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-ethylcyclohexan-1-amine
SMILESCCC1CCCCC1NCC1=CCCOC1
InChIInChI=1S/C14H25NO/c1-2-13-7-3-4-8-14(13)15-10-12-6-5-9-16-11-12/h6,13-15H,2-5,7-11H2,1H3
InChIKeyDRYZCLOTVQGFFL-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-ethylcyclohexan-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

Related Compounds

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylcyclohexan-1-amine
CID 103816300
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3,4-dimethylcyclohexan-1-amine
CID 104588469
3-cyclohexyl-3-(3,6-dihydro-2H-pyran-5-ylmethylamino)propan-1-ol
CID 109897134
[2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclohexyl]methanol
CID 112353664
2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine
CID 114411018
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylcyclohexan-1-amine
CID 115674331
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1,4-dimethylcyclohexan-1-amine
CID 115674415
2-(cyclohexen-1-yl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
CID 115741718
N-(3,6-dihydro-2H-pyran-5-ylmethyl)octan-2-amine
CID 115741719
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,3-dimethylcyclohexan-1-amine
CID 115741729
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-6-methylheptan-2-amine
CID 115741730
N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclooctanamine
CID 115741738

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-ethylcyclohexan-1-amine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-ethylcyclohexan-1-amine (CID 115741823) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-ethylcyclohexan-1-amine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-ethylcyclohexan-1-amine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-ethylcyclohexan-1-amine is CCC1CCCCC1NCC1=CCCOC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-ethylcyclohexan-1-amine?
The InChIKey is DRYZCLOTVQGFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-13-7-3-4-8-14(13)15-10-12-6-5-9-16-11-12/h6,13-15H,2-5,7-11H2,1H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-ethylcyclohexan-1-amine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-ethylcyclohexan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-ethylcyclohexan-1-amine is sourced from PubChem (CID 115741823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).