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

C14H27NO — CID 115741754

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-ethylhexan-1-amine
SMILESCCCCC(CC)CNCC1=CCCOC1
InChIInChI=1S/C14H27NO/c1-3-5-7-13(4-2)10-15-11-14-8-6-9-16-12-14/h8,13,15H,3-7,9-12H2,1-2H3
InChIKeyXXNNVDJUFJWHKX-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.14
Rot. Bonds8

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

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-ethylhexan-1-amine (PubChem CID 115741754) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-ethylhexan-1-amine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-ethylhexan-1-amine
PubChem CID115741754
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-ethylhexan-1-amine
SMILESCCCCC(CC)CNCC1=CCCOC1
InChIInChI=1S/C14H27NO/c1-3-5-7-13(4-2)10-15-11-14-8-6-9-16-12-14/h8,13,15H,3-7,9-12H2,1-2H3
InChIKeyXXNNVDJUFJWHKX-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-ethoxypropan-1-amine
CID 103276041
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-methoxypropan-1-amine
CID 103276113
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-methoxy-2-methylpropan-1-amine
CID 103276712
4-(2-Methylpentoxymethyl)-1,2,3,6-tetrahydropyridine
CID 103283983
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
2-cyclohexyl-N-ethyl-5-methoxy-4-methylpent-2-en-1-amine
CID 104881857
1-(3,6-dihydro-2H-pyran-5-ylmethylamino)-4-methylpentan-3-ol
CID 112353708
3-[(3,6-dihydro-2H-pyran-5-ylmethylamino)methyl]hexan-1-ol
CID 112353729
3-ethyl-6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine
CID 113581635
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 113797364
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-propoxypropan-1-amine
CID 113797472

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-ethylhexan-1-amine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-ethylhexan-1-amine (CID 115741754) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-ethylhexan-1-amine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-ethylhexan-1-amine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-ethylhexan-1-amine is CCCCC(CC)CNCC1=CCCOC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-ethylhexan-1-amine?
The InChIKey is XXNNVDJUFJWHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-5-7-13(4-2)10-15-11-14-8-6-9-16-12-14/h8,13,15H,3-7,9-12H2,1-2H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-ethylhexan-1-amine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-ethylhexan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.14, 8 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-ethylhexan-1-amine is sourced from PubChem (CID 115741754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).