2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3,3-dimethoxy-2-methylpropan-1-amine

C14H32N4O2 — CID 66180044

IUPAC2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3,3-dimethoxy-2-methylpropan-1-amine
SMILESCOC(OC)C(C)(CN)N1CCN(CCN(C)C)CC1
InChIInChI=1S/C14H32N4O2/c1-14(12-15,13(19-4)20-5)18-10-8-17(9-11-18)7-6-16(2)3/h13H,6-12,15H2,1-5H3
InChIKeyTWKGEWCTNFYNFZ-UHFFFAOYSA-N
MW288.44 g/mol
LogP-0.50
Rot. Bonds8

About 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3,3-dimethoxy-2-methylpropan-1-amine

2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3,3-dimethoxy-2-methylpropan-1-amine (PubChem CID 66180044) has the molecular formula C14H32N4O2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3,3-dimethoxy-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3,3-dimethoxy-2-methylpropan-1-amine
PubChem CID66180044
Molecular FormulaC14H32N4O2
Molecular Weight288.44 g/mol
Exact Mass288.25
IUPAC Name2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3,3-dimethoxy-2-methylpropan-1-amine
SMILESCOC(OC)C(C)(CN)N1CCN(CCN(C)C)CC1
InChIInChI=1S/C14H32N4O2/c1-14(12-15,13(19-4)20-5)18-10-8-17(9-11-18)7-6-16(2)3/h13H,6-12,15H2,1-5H3
InChIKeyTWKGEWCTNFYNFZ-UHFFFAOYSA-N
XLogP-0.50
TPSA54.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3,3-dimethoxy-2-methylpropan-1-amine?
The IUPAC name of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3,3-dimethoxy-2-methylpropan-1-amine (CID 66180044) is 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3,3-dimethoxy-2-methylpropan-1-amine.
What is the SMILES notation for 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3,3-dimethoxy-2-methylpropan-1-amine?
The canonical SMILES for 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3,3-dimethoxy-2-methylpropan-1-amine is COC(OC)C(C)(CN)N1CCN(CCN(C)C)CC1.
What is the InChIKey of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3,3-dimethoxy-2-methylpropan-1-amine?
The InChIKey is TWKGEWCTNFYNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4O2/c1-14(12-15,13(19-4)20-5)18-10-8-17(9-11-18)7-6-16(2)3/h13H,6-12,15H2,1-5H3.
What are the key properties of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3,3-dimethoxy-2-methylpropan-1-amine?
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3,3-dimethoxy-2-methylpropan-1-amine has a molecular weight of 288.44 g/mol, XLogP of -0.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3,3-dimethoxy-2-methylpropan-1-amine is sourced from PubChem (CID 66180044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).