1-methyl-4-(10-methylundecyl)piperazine;2-(propan-2-ylamino)acetaldehyde

C22H47N3O — CID 170586175

IUPAC1-methyl-4-(10-methylundecyl)piperazine;2-(propan-2-ylamino)acetaldehyde
SMILESCC(C)CCCCCCCCCN1CCN(C)CC1.CC(C)NCC=O
InChIInChI=1S/C17H36N2.C5H11NO/c1-17(2)11-9-7-5-4-6-8-10-12-19-15-13-18(3)14-16-19;1-5(2)6-3-4-7/h17H,4-16H2,1-3H3;4-6H,3H2,1-2H3
InChIKeyWJBLAAMIUNSXQB-UHFFFAOYSA-N
MW369.64 g/mol
LogP4.19
Rot. Bonds13

About 1-methyl-4-(10-methylundecyl)piperazine;2-(propan-2-ylamino)acetaldehyde

1-methyl-4-(10-methylundecyl)piperazine;2-(propan-2-ylamino)acetaldehyde (PubChem CID 170586175) has the molecular formula C22H47N3O and a molecular weight of 369.64 g/mol. Its IUPAC name is 1-methyl-4-(10-methylundecyl)piperazine;2-(propan-2-ylamino)acetaldehyde.

Molecular Properties

Compound Name1-methyl-4-(10-methylundecyl)piperazine;2-(propan-2-ylamino)acetaldehyde
PubChem CID170586175
Molecular FormulaC22H47N3O
Molecular Weight369.64 g/mol
Exact Mass369.37
IUPAC Name1-methyl-4-(10-methylundecyl)piperazine;2-(propan-2-ylamino)acetaldehyde
SMILESCC(C)CCCCCCCCCN1CCN(C)CC1.CC(C)NCC=O
InChIInChI=1S/C17H36N2.C5H11NO/c1-17(2)11-9-7-5-4-6-8-10-12-19-15-13-18(3)14-16-19;1-5(2)6-3-4-7/h17H,4-16H2,1-3H3;4-6H,3H2,1-2H3
InChIKeyWJBLAAMIUNSXQB-UHFFFAOYSA-N
XLogP4.19
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.64
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(10-methylundecyl)piperazine;2-(propan-2-ylamino)acetaldehyde?
The IUPAC name of 1-methyl-4-(10-methylundecyl)piperazine;2-(propan-2-ylamino)acetaldehyde (CID 170586175) is 1-methyl-4-(10-methylundecyl)piperazine;2-(propan-2-ylamino)acetaldehyde.
What is the SMILES notation for 1-methyl-4-(10-methylundecyl)piperazine;2-(propan-2-ylamino)acetaldehyde?
The canonical SMILES for 1-methyl-4-(10-methylundecyl)piperazine;2-(propan-2-ylamino)acetaldehyde is CC(C)CCCCCCCCCN1CCN(C)CC1.CC(C)NCC=O.
What is the InChIKey of 1-methyl-4-(10-methylundecyl)piperazine;2-(propan-2-ylamino)acetaldehyde?
The InChIKey is WJBLAAMIUNSXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2.C5H11NO/c1-17(2)11-9-7-5-4-6-8-10-12-19-15-13-18(3)14-16-19;1-5(2)6-3-4-7/h17H,4-16H2,1-3H3;4-6H,3H2,1-2H3.
What are the key properties of 1-methyl-4-(10-methylundecyl)piperazine;2-(propan-2-ylamino)acetaldehyde?
1-methyl-4-(10-methylundecyl)piperazine;2-(propan-2-ylamino)acetaldehyde has a molecular weight of 369.64 g/mol, XLogP of 4.19, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(10-methylundecyl)piperazine;2-(propan-2-ylamino)acetaldehyde is sourced from PubChem (CID 170586175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).