cesium N-methyl-N-(2-methylpropyl)undecan-1-amine

C16H34CsN — CID 155752088

IUPACcesium N-methyl-N-(2-methylpropyl)undecan-1-amine
SMILESC[CH-]CCCCCCCCCN(C)CC(C)C.[Cs+]
InChIInChI=1S/C16H34N.Cs/c1-5-6-7-8-9-10-11-12-13-14-17(4)15-16(2)3;/h5,16H,6-15H2,1-4H3;/q-1;+1
InChIKeyDXNGJGSWKQTBIC-UHFFFAOYSA-N
MW373.36 g/mol
LogP1.92
Rot. Bonds12

About cesium N-methyl-N-(2-methylpropyl)undecan-1-amine

cesium N-methyl-N-(2-methylpropyl)undecan-1-amine (PubChem CID 155752088) has the molecular formula C16H34CsN and a molecular weight of 373.36 g/mol. Its IUPAC name is cesium N-methyl-N-(2-methylpropyl)undecan-1-amine.

Molecular Properties

Compound Namecesium N-methyl-N-(2-methylpropyl)undecan-1-amine
PubChem CID155752088
Molecular FormulaC16H34CsN
Molecular Weight373.36 g/mol
Exact Mass373.17
IUPAC Namecesium N-methyl-N-(2-methylpropyl)undecan-1-amine
SMILESC[CH-]CCCCCCCCCN(C)CC(C)C.[Cs+]
InChIInChI=1S/C16H34N.Cs/c1-5-6-7-8-9-10-11-12-13-14-17(4)15-16(2)3;/h5,16H,6-15H2,1-4H3;/q-1;+1
InChIKeyDXNGJGSWKQTBIC-UHFFFAOYSA-N
XLogP1.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-methyl-N-(2-methylpropyl)butan-1-amine
CID 126593992
N'-methyl-N'-(2-methylpropyl)-N-propylpentane-1,5-diamine
CID 62421110
N'-methyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine
CID 62422401
N-tert-butyl-N'-methyl-N'-(2-methylpropyl)butane-1,4-diamine
CID 62422222
1-[methyl(7-methyloctyl)amino]propane-2-thiol
CID 167242613
N-methyl-N-(2-methylpropyl)pent-4-yn-1-amine
CID 115872924
N-(2-chloropropyl)-N-methyldecan-1-amine
CID 63388081
N'-methyl-N,N'-bis(2-methylpropyl)propane-1,3-diamine
CID 62421290
N'-(disulfanylmethyl)-N,N'-dimethyl-N-(2-methylpropyl)propane-1,3-diamine
CID 138727017
N-methyl-N-(2-methylpropyl)-N',N'-dipropylethane-1,2-diamine
CID 166733537
N-methyl-N-(2-methylpropyl)butan-1-amine;pentan-1-ol
CID 169214639
1-N-dodecyl-1-N,2-N,2-N-trimethylpropane-1,2-diamine
CID 139634498

Frequently Asked Questions

What is the IUPAC name of cesium N-methyl-N-(2-methylpropyl)undecan-1-amine?
The IUPAC name of cesium N-methyl-N-(2-methylpropyl)undecan-1-amine (CID 155752088) is cesium N-methyl-N-(2-methylpropyl)undecan-1-amine.
What is the SMILES notation for cesium N-methyl-N-(2-methylpropyl)undecan-1-amine?
The canonical SMILES for cesium N-methyl-N-(2-methylpropyl)undecan-1-amine is C[CH-]CCCCCCCCCN(C)CC(C)C.[Cs+].
What is the InChIKey of cesium N-methyl-N-(2-methylpropyl)undecan-1-amine?
The InChIKey is DXNGJGSWKQTBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N.Cs/c1-5-6-7-8-9-10-11-12-13-14-17(4)15-16(2)3;/h5,16H,6-15H2,1-4H3;/q-1;+1.
What are the key properties of cesium N-methyl-N-(2-methylpropyl)undecan-1-amine?
cesium N-methyl-N-(2-methylpropyl)undecan-1-amine has a molecular weight of 373.36 g/mol, XLogP of 1.92, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cesium N-methyl-N-(2-methylpropyl)undecan-1-amine is sourced from PubChem (CID 155752088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).