N-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]oxan-4-amine

C14H29N3O — CID 63620851

IUPACN-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]oxan-4-amine
SMILESCN1CCN(CCNC2CCOCC2)CC1(C)C
InChIInChI=1S/C14H29N3O/c1-14(2)12-17(9-8-16(14)3)7-6-15-13-4-10-18-11-5-13/h13,15H,4-12H2,1-3H3
InChIKeyPUBXAPVPYHEGNR-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.78
Rot. Bonds4

About N-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]oxan-4-amine

N-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]oxan-4-amine (PubChem CID 63620851) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]oxan-4-amine
PubChem CID63620851
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]oxan-4-amine
SMILESCN1CCN(CCNC2CCOCC2)CC1(C)C
InChIInChI=1S/C14H29N3O/c1-14(2)12-17(9-8-16(14)3)7-6-15-13-4-10-18-11-5-13/h13,15H,4-12H2,1-3H3
InChIKeyPUBXAPVPYHEGNR-UHFFFAOYSA-N
XLogP0.78
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]cyclopentanamine
CID 63620690
N-[3-(3,3,4-trimethylpiperazin-1-yl)propyl]cyclopentanamine
CID 63619496
N-(2-pyrrolidin-1-ylethyl)oxan-4-amine
CID 43608501
N-(2-piperidin-1-ylethyl)oxepan-4-amine
CID 65081716
1-cyclopropyl-N-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]ethanamine
CID 63620008
4,4-dimethyl-N-(2-morpholin-4-ylethyl)cycloheptan-1-amine
CID 65082758
N-[2-(3-methoxypiperidin-1-yl)ethyl]oxan-4-amine
CID 102968342
N-(3-morpholin-4-ylpropyl)oxan-4-amine
CID 18349139
1-[2-(cyclopropylamino)ethyl]-3-methylpyrrolidin-3-ol
CID 103357909
N-[2-(4-methylsulfanylazepan-1-yl)ethyl]oxan-4-amine
CID 114238437
N-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethyl]oxan-4-amine
CID 63100030
N-[2-(1,4-oxazepan-4-yl)ethyl]cyclopropanamine
CID 62987458

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]oxan-4-amine?
The IUPAC name of N-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]oxan-4-amine (CID 63620851) is N-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]oxan-4-amine.
What is the SMILES notation for N-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]oxan-4-amine?
The canonical SMILES for N-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]oxan-4-amine is CN1CCN(CCNC2CCOCC2)CC1(C)C.
What is the InChIKey of N-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]oxan-4-amine?
The InChIKey is PUBXAPVPYHEGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-14(2)12-17(9-8-16(14)3)7-6-15-13-4-10-18-11-5-13/h13,15H,4-12H2,1-3H3.
What are the key properties of N-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]oxan-4-amine?
N-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]oxan-4-amine has a molecular weight of 255.41 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]oxan-4-amine is sourced from PubChem (CID 63620851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).