N-(cyclohexylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine

C14H25NO — CID 115763777

IUPACN-(cyclohexylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine
SMILESC1=C(CCNCC2CCCCC2)CCOC1
InChIInChI=1S/C14H25NO/c1-2-4-14(5-3-1)12-15-9-6-13-7-10-16-11-8-13/h7,14-15H,1-6,8-12H2
InChIKeyIJECLDFFLOGKSX-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.89
Rot. Bonds5

About N-(cyclohexylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine

N-(cyclohexylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine (PubChem CID 115763777) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine
PubChem CID115763777
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-(cyclohexylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine
SMILESC1=C(CCNCC2CCCCC2)CCOC1
InChIInChI=1S/C14H25NO/c1-2-4-14(5-3-1)12-15-9-6-13-7-10-16-11-8-13/h7,14-15H,1-6,8-12H2
InChIKeyIJECLDFFLOGKSX-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(6S,7aR)-N-cyclohexyl-1,3,5,6,7,7a-hexahydrocyclopenta[c]pyran-6-amine
CID 134958683
3-(3,6-dihydro-2H-pyran-4-yl)azetidine
CID 166469368
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylcyclohexan-1-amine
CID 103816300
4-(2-Ethylhexoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404541
4-(Cyclohexylmethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404597
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylcyclohexan-1-amine
CID 115674331
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-ethylhexan-1-amine
CID 115741754
2-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
CID 115741804
2-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
CID 115741812
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylcyclohexan-1-amine
CID 115741813
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(3-methylcyclohexyl)methanamine
CID 115741900
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(4-methylcyclohexyl)methanamine
CID 115741901

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine?
The IUPAC name of N-(cyclohexylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine (CID 115763777) is N-(cyclohexylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine?
The canonical SMILES for N-(cyclohexylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine is C1=C(CCNCC2CCCCC2)CCOC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine?
The InChIKey is IJECLDFFLOGKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-4-14(5-3-1)12-15-9-6-13-7-10-16-11-8-13/h7,14-15H,1-6,8-12H2.
What are the key properties of N-(cyclohexylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine?
N-(cyclohexylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine has a molecular weight of 223.36 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine is sourced from PubChem (CID 115763777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).