N,N-diethylpropan-1-amine;3-(ethylaminomethyl)cyclobutan-1-ol;1-ethyl-4,4-dimethylpiperidine

C23H51N3O — CID 163239171

IUPACN,N-diethylpropan-1-amine;3-(ethylaminomethyl)cyclobutan-1-ol;1-ethyl-4,4-dimethylpiperidine
SMILESCCCN(CC)CC.CCN1CCC(C)(C)CC1.CCNCC1CC(O)C1
InChIInChI=1S/C9H19N.C7H15NO.C7H17N/c1-4-10-7-5-9(2,3)6-8-10;1-2-8-5-6-3-7(9)4-6;1-4-7-8(5-2)6-3/h4-8H2,1-3H3;6-9H,2-5H2,1H3;4-7H2,1-3H3
InChIKeyZNJADJJHHWSZAW-UHFFFAOYSA-N
MW385.68 g/mol
LogP4.23
Rot. Bonds8

About N,N-diethylpropan-1-amine;3-(ethylaminomethyl)cyclobutan-1-ol;1-ethyl-4,4-dimethylpiperidine

N,N-diethylpropan-1-amine;3-(ethylaminomethyl)cyclobutan-1-ol;1-ethyl-4,4-dimethylpiperidine (PubChem CID 163239171) has the molecular formula C23H51N3O and a molecular weight of 385.68 g/mol. Its IUPAC name is N,N-diethylpropan-1-amine;3-(ethylaminomethyl)cyclobutan-1-ol;1-ethyl-4,4-dimethylpiperidine.

Molecular Properties

Compound NameN,N-diethylpropan-1-amine;3-(ethylaminomethyl)cyclobutan-1-ol;1-ethyl-4,4-dimethylpiperidine
PubChem CID163239171
Molecular FormulaC23H51N3O
Molecular Weight385.68 g/mol
Exact Mass385.40
IUPAC NameN,N-diethylpropan-1-amine;3-(ethylaminomethyl)cyclobutan-1-ol;1-ethyl-4,4-dimethylpiperidine
SMILESCCCN(CC)CC.CCN1CCC(C)(C)CC1.CCNCC1CC(O)C1
InChIInChI=1S/C9H19N.C7H15NO.C7H17N/c1-4-10-7-5-9(2,3)6-8-10;1-2-8-5-6-3-7(9)4-6;1-4-7-8(5-2)6-3/h4-8H2,1-3H3;6-9H,2-5H2,1H3;4-7H2,1-3H3
InChIKeyZNJADJJHHWSZAW-UHFFFAOYSA-N
XLogP4.23
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.68
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylpropan-1-amine;3-(ethylaminomethyl)cyclobutan-1-ol;1-ethyl-4,4-dimethylpiperidine?
The IUPAC name of N,N-diethylpropan-1-amine;3-(ethylaminomethyl)cyclobutan-1-ol;1-ethyl-4,4-dimethylpiperidine (CID 163239171) is N,N-diethylpropan-1-amine;3-(ethylaminomethyl)cyclobutan-1-ol;1-ethyl-4,4-dimethylpiperidine.
What is the SMILES notation for N,N-diethylpropan-1-amine;3-(ethylaminomethyl)cyclobutan-1-ol;1-ethyl-4,4-dimethylpiperidine?
The canonical SMILES for N,N-diethylpropan-1-amine;3-(ethylaminomethyl)cyclobutan-1-ol;1-ethyl-4,4-dimethylpiperidine is CCCN(CC)CC.CCN1CCC(C)(C)CC1.CCNCC1CC(O)C1.
What is the InChIKey of N,N-diethylpropan-1-amine;3-(ethylaminomethyl)cyclobutan-1-ol;1-ethyl-4,4-dimethylpiperidine?
The InChIKey is ZNJADJJHHWSZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C7H15NO.C7H17N/c1-4-10-7-5-9(2,3)6-8-10;1-2-8-5-6-3-7(9)4-6;1-4-7-8(5-2)6-3/h4-8H2,1-3H3;6-9H,2-5H2,1H3;4-7H2,1-3H3.
What are the key properties of N,N-diethylpropan-1-amine;3-(ethylaminomethyl)cyclobutan-1-ol;1-ethyl-4,4-dimethylpiperidine?
N,N-diethylpropan-1-amine;3-(ethylaminomethyl)cyclobutan-1-ol;1-ethyl-4,4-dimethylpiperidine has a molecular weight of 385.68 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylpropan-1-amine;3-(ethylaminomethyl)cyclobutan-1-ol;1-ethyl-4,4-dimethylpiperidine is sourced from PubChem (CID 163239171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).