[6,6-dimethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]morpholin-2-yl]methanamine

C14H30N4O — CID 114782508

IUPAC[6,6-dimethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]morpholin-2-yl]methanamine
SMILESCN1CCN(CCN2CC(CN)OC(C)(C)C2)CC1
InChIInChI=1S/C14H30N4O/c1-14(2)12-18(11-13(10-15)19-14)9-8-17-6-4-16(3)5-7-17/h13H,4-12,15H2,1-3H3
InChIKeyKLDPWYOPODHGKY-UHFFFAOYSA-N
MW270.42 g/mol
LogP-0.33
Rot. Bonds4

About [6,6-dimethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]morpholin-2-yl]methanamine

[6,6-dimethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]morpholin-2-yl]methanamine (PubChem CID 114782508) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is [6,6-dimethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[6,6-dimethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]morpholin-2-yl]methanamine
PubChem CID114782508
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name[6,6-dimethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]morpholin-2-yl]methanamine
SMILESCN1CCN(CCN2CC(CN)OC(C)(C)C2)CC1
InChIInChI=1S/C14H30N4O/c1-14(2)12-18(11-13(10-15)19-14)9-8-17-6-4-16(3)5-7-17/h13H,4-12,15H2,1-3H3
InChIKeyKLDPWYOPODHGKY-UHFFFAOYSA-N
XLogP-0.33
TPSA44.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6,6-dimethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]morpholin-2-yl]methanamine?
The IUPAC name of [6,6-dimethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]morpholin-2-yl]methanamine (CID 114782508) is [6,6-dimethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]morpholin-2-yl]methanamine.
What is the SMILES notation for [6,6-dimethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]morpholin-2-yl]methanamine?
The canonical SMILES for [6,6-dimethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]morpholin-2-yl]methanamine is CN1CCN(CCN2CC(CN)OC(C)(C)C2)CC1.
What is the InChIKey of [6,6-dimethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]morpholin-2-yl]methanamine?
The InChIKey is KLDPWYOPODHGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-14(2)12-18(11-13(10-15)19-14)9-8-17-6-4-16(3)5-7-17/h13H,4-12,15H2,1-3H3.
What are the key properties of [6,6-dimethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]morpholin-2-yl]methanamine?
[6,6-dimethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]morpholin-2-yl]methanamine has a molecular weight of 270.42 g/mol, XLogP of -0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6,6-dimethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 114782508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).