2,2-diethyl-N-(3-imidazol-1-ylpropyl)oxan-4-amine

C15H27N3O — CID 83033681

IUPAC2,2-diethyl-N-(3-imidazol-1-ylpropyl)oxan-4-amine
SMILESCCC1(CC)CC(NCCCn2ccnc2)CCO1
InChIInChI=1S/C15H27N3O/c1-3-15(4-2)12-14(6-11-19-15)17-7-5-9-18-10-8-16-13-18/h8,10,13-14,17H,3-7,9,11-12H2,1-2H3
InChIKeyLDCSFUUIPNFKRC-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.60
Rot. Bonds7

About 2,2-diethyl-N-(3-imidazol-1-ylpropyl)oxan-4-amine

2,2-diethyl-N-(3-imidazol-1-ylpropyl)oxan-4-amine (PubChem CID 83033681) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2,2-diethyl-N-(3-imidazol-1-ylpropyl)oxan-4-amine.

Molecular Properties

Compound Name2,2-diethyl-N-(3-imidazol-1-ylpropyl)oxan-4-amine
PubChem CID83033681
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2,2-diethyl-N-(3-imidazol-1-ylpropyl)oxan-4-amine
SMILESCCC1(CC)CC(NCCCn2ccnc2)CCO1
InChIInChI=1S/C15H27N3O/c1-3-15(4-2)12-14(6-11-19-15)17-7-5-9-18-10-8-16-13-18/h8,10,13-14,17H,3-7,9,11-12H2,1-2H3
InChIKeyLDCSFUUIPNFKRC-UHFFFAOYSA-N
XLogP2.60
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4S)-N-(3-imidazol-1-ylpropyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96579257
N-(3-imidazol-1-ylpropyl)oxan-4-amine
CID 43608608
2,2-diethyl-N-(2-pyrazol-1-ylethyl)oxan-4-amine
CID 83032997
2,2-diethyl-N-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-amine
CID 114527733
N-(2-imidazol-1-ylethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895433
2,2-diethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine
CID 103001948
N-(3-imidazol-1-ylpropyl)-1-methylsulfonylpiperidin-4-amine
CID 61494543
N-(4-imidazol-1-ylbutyl)-4,4-dimethylcycloheptan-1-amine
CID 65083611
cis-(1S,2R)-2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)cyclopentan-1-amine
CID 124681069
2-ethyl-2-methyl-N-[3-(triazol-1-yl)propyl]oxan-4-amine
CID 113412524
N-(1-cyclobutylethyl)-3-imidazol-1-ylpropan-1-amine
CID 115704905
N-(3-imidazol-1-ylpropyl)-2-methylsulfonylcyclopentan-1-amine
CID 65046461

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N-(3-imidazol-1-ylpropyl)oxan-4-amine?
The IUPAC name of 2,2-diethyl-N-(3-imidazol-1-ylpropyl)oxan-4-amine (CID 83033681) is 2,2-diethyl-N-(3-imidazol-1-ylpropyl)oxan-4-amine.
What is the SMILES notation for 2,2-diethyl-N-(3-imidazol-1-ylpropyl)oxan-4-amine?
The canonical SMILES for 2,2-diethyl-N-(3-imidazol-1-ylpropyl)oxan-4-amine is CCC1(CC)CC(NCCCn2ccnc2)CCO1.
What is the InChIKey of 2,2-diethyl-N-(3-imidazol-1-ylpropyl)oxan-4-amine?
The InChIKey is LDCSFUUIPNFKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-15(4-2)12-14(6-11-19-15)17-7-5-9-18-10-8-16-13-18/h8,10,13-14,17H,3-7,9,11-12H2,1-2H3.
What are the key properties of 2,2-diethyl-N-(3-imidazol-1-ylpropyl)oxan-4-amine?
2,2-diethyl-N-(3-imidazol-1-ylpropyl)oxan-4-amine has a molecular weight of 265.40 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N-(3-imidazol-1-ylpropyl)oxan-4-amine is sourced from PubChem (CID 83033681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).