N-ethyl-N-[(2-propan-2-yl-3,6-dihydro-2H-pyran-4-yl)methyl]ethanamine

C13H25NO — CID 23261876

IUPACN-ethyl-N-[(2-propan-2-yl-3,6-dihydro-2H-pyran-4-yl)methyl]ethanamine
SMILESCCN(CC)CC1=CCOC(C(C)C)C1
InChIInChI=1S/C13H25NO/c1-5-14(6-2)10-12-7-8-15-13(9-12)11(3)4/h7,11,13H,5-6,8-10H2,1-4H3
InChIKeyLVTQMVZGPLQHAN-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.70
Rot. Bonds5

About N-ethyl-N-[(2-propan-2-yl-3,6-dihydro-2H-pyran-4-yl)methyl]ethanamine

N-ethyl-N-[(2-propan-2-yl-3,6-dihydro-2H-pyran-4-yl)methyl]ethanamine (PubChem CID 23261876) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-ethyl-N-[(2-propan-2-yl-3,6-dihydro-2H-pyran-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(2-propan-2-yl-3,6-dihydro-2H-pyran-4-yl)methyl]ethanamine
PubChem CID23261876
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-ethyl-N-[(2-propan-2-yl-3,6-dihydro-2H-pyran-4-yl)methyl]ethanamine
SMILESCCN(CC)CC1=CCOC(C(C)C)C1
InChIInChI=1S/C13H25NO/c1-5-14(6-2)10-12-7-8-15-13(9-12)11(3)4/h7,11,13H,5-6,8-10H2,1-4H3
InChIKeyLVTQMVZGPLQHAN-UHFFFAOYSA-N
XLogP2.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-(propan-2-yloxymethyl)-3,6-dihydro-2H-pyridine
CID 14442220
4-(1-methoxyethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 14442221
2-(6-methoxycyclohexa-1,3-dien-1-yl)-N,N-dimethylethanamine
CID 57089492
(3Z,8E)-1-ethyl-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene
CID 144515518
(3Z,8E)-7-methoxy-1,3-dimethyl-1-azacyclotetradeca-3,8-diene
CID 144515557
1-[2-(3,6-dihydro-2H-pyran-4-yl)propan-2-yl]-4-propan-2-yl-3,6-dihydro-2H-pyridine
CID 146199653
1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;4-propan-2-yl-3,6-dihydro-2H-pyran
CID 160365584
1-(5-methoxy-4-methylcyclohex-3-en-1-yl)-N,N-dimethylmethanamine
CID 45091339
1-Methyl-4-[3-(4-methylpent-3-en-2-yloxy)propyl]piperidine
CID 142163968

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2-propan-2-yl-3,6-dihydro-2H-pyran-4-yl)methyl]ethanamine?
The IUPAC name of N-ethyl-N-[(2-propan-2-yl-3,6-dihydro-2H-pyran-4-yl)methyl]ethanamine (CID 23261876) is N-ethyl-N-[(2-propan-2-yl-3,6-dihydro-2H-pyran-4-yl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[(2-propan-2-yl-3,6-dihydro-2H-pyran-4-yl)methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[(2-propan-2-yl-3,6-dihydro-2H-pyran-4-yl)methyl]ethanamine is CCN(CC)CC1=CCOC(C(C)C)C1.
What is the InChIKey of N-ethyl-N-[(2-propan-2-yl-3,6-dihydro-2H-pyran-4-yl)methyl]ethanamine?
The InChIKey is LVTQMVZGPLQHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-14(6-2)10-12-7-8-15-13(9-12)11(3)4/h7,11,13H,5-6,8-10H2,1-4H3.
What are the key properties of N-ethyl-N-[(2-propan-2-yl-3,6-dihydro-2H-pyran-4-yl)methyl]ethanamine?
N-ethyl-N-[(2-propan-2-yl-3,6-dihydro-2H-pyran-4-yl)methyl]ethanamine has a molecular weight of 211.35 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2-propan-2-yl-3,6-dihydro-2H-pyran-4-yl)methyl]ethanamine is sourced from PubChem (CID 23261876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).