N-[2-[2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-2-amine

C19H41N3O — CID 140908068

IUPACN-[2-[2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)CCCN1CCN(CCOCCNC(C)(C)C)CC1
InChIInChI=1S/C19H41N3O/c1-18(2,3)8-7-10-21-11-13-22(14-12-21)15-17-23-16-9-20-19(4,5)6/h20H,7-17H2,1-6H3
InChIKeyOZSIQSFXEXDDAP-UHFFFAOYSA-N
MW327.56 g/mol
LogP2.84
Rot. Bonds9

About N-[2-[2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-2-amine

N-[2-[2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-2-amine (PubChem CID 140908068) has the molecular formula C19H41N3O and a molecular weight of 327.56 g/mol. Its IUPAC name is N-[2-[2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-2-amine
PubChem CID140908068
Molecular FormulaC19H41N3O
Molecular Weight327.56 g/mol
Exact Mass327.32
IUPAC NameN-[2-[2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)CCCN1CCN(CCOCCNC(C)(C)C)CC1
InChIInChI=1S/C19H41N3O/c1-18(2,3)8-7-10-21-11-13-22(14-12-21)15-17-23-16-9-20-19(4,5)6/h20H,7-17H2,1-6H3
InChIKeyOZSIQSFXEXDDAP-UHFFFAOYSA-N
XLogP2.84
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.56
LogP ≤ 52.84
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-2-amine (CID 140908068) is N-[2-[2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-2-amine is CC(C)(C)CCCN1CCN(CCOCCNC(C)(C)C)CC1.
What is the InChIKey of N-[2-[2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-2-amine?
The InChIKey is OZSIQSFXEXDDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N3O/c1-18(2,3)8-7-10-21-11-13-22(14-12-21)15-17-23-16-9-20-19(4,5)6/h20H,7-17H2,1-6H3.
What are the key properties of N-[2-[2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-2-amine?
N-[2-[2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-2-amine has a molecular weight of 327.56 g/mol, XLogP of 2.84, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 140908068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).