1-(1,4-dimethylpiperazin-2-yl)-N-methylundecan-2-amine

C18H39N3 — CID 115415407

IUPAC1-(1,4-dimethylpiperazin-2-yl)-N-methylundecan-2-amine
SMILESCCCCCCCCCC(CC1CN(C)CCN1C)NC
InChIInChI=1S/C18H39N3/c1-5-6-7-8-9-10-11-12-17(19-2)15-18-16-20(3)13-14-21(18)4/h17-19H,5-16H2,1-4H3
InChIKeyQUBSVHJKWDONDM-UHFFFAOYSA-N
MW297.53 g/mol
LogP3.35
Rot. Bonds11

About 1-(1,4-dimethylpiperazin-2-yl)-N-methylundecan-2-amine

1-(1,4-dimethylpiperazin-2-yl)-N-methylundecan-2-amine (PubChem CID 115415407) has the molecular formula C18H39N3 and a molecular weight of 297.53 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-N-methylundecan-2-amine.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-N-methylundecan-2-amine
PubChem CID115415407
Molecular FormulaC18H39N3
Molecular Weight297.53 g/mol
Exact Mass297.31
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-N-methylundecan-2-amine
SMILESCCCCCCCCCC(CC1CN(C)CCN1C)NC
InChIInChI=1S/C18H39N3/c1-5-6-7-8-9-10-11-12-17(19-2)15-18-16-20(3)13-14-21(18)4/h17-19H,5-16H2,1-4H3
InChIKeyQUBSVHJKWDONDM-UHFFFAOYSA-N
XLogP3.35
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.53
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-5-en-2-amine
CID 115415336
1-(1,4-dimethylpiperazin-2-yl)-N,4-dimethylpentan-2-amine
CID 115415231
1-(1,4-dimethylpiperazin-2-yl)-N,4-dimethylpent-4-en-2-amine
CID 115415234
1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-4-yn-2-amine
CID 115415360
1-cyclobutyl-N-methylnonan-2-amine
CID 115863864
N-[(1,4-dimethylpiperazin-2-yl)methyl]heptan-1-amine
CID 63899137
1-(1,4-dimethylpiperazin-2-yl)-N,3-dimethylpentan-2-amine
CID 115415365
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-6,6,6-trifluorohexan-2-amine
CID 115517604
1-(1,4-dimethylpiperazin-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 115415255
1-cyclohexyl-N-methylheptan-2-amine
CID 115836969
1-(1,4-dimethylpiperazin-2-yl)-N-methyl-3-(3-methylphenyl)propan-2-amine
CID 115415288
N-methylheptadecan-9-amine;hydrochloride
CID 175813537

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-methylundecan-2-amine?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-methylundecan-2-amine (CID 115415407) is 1-(1,4-dimethylpiperazin-2-yl)-N-methylundecan-2-amine.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-N-methylundecan-2-amine?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-N-methylundecan-2-amine is CCCCCCCCCC(CC1CN(C)CCN1C)NC.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-N-methylundecan-2-amine?
The InChIKey is QUBSVHJKWDONDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N3/c1-5-6-7-8-9-10-11-12-17(19-2)15-18-16-20(3)13-14-21(18)4/h17-19H,5-16H2,1-4H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-N-methylundecan-2-amine?
1-(1,4-dimethylpiperazin-2-yl)-N-methylundecan-2-amine has a molecular weight of 297.53 g/mol, XLogP of 3.35, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-N-methylundecan-2-amine is sourced from PubChem (CID 115415407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).