2-methyl-N-(2-methyldodecan-2-yl)-N-(2-phenylethyl)dodecan-2-amine

C34H63N — CID 139722899

IUPAC2-methyl-N-(2-methyldodecan-2-yl)-N-(2-phenylethyl)dodecan-2-amine
SMILESCCCCCCCCCCC(C)(C)N(CCc1ccccc1)C(C)(C)CCCCCCCCCC
InChIInChI=1S/C34H63N/c1-7-9-11-13-15-17-19-24-29-33(3,4)35(31-28-32-26-22-21-23-27-32)34(5,6)30-25-20-18-16-14-12-10-8-2/h21-23,26-27H,7-20,24-25,28-31H2,1-6H3
InChIKeyAUQMNYVEADJUPL-UHFFFAOYSA-N
MW485.89 g/mol
LogP11.15
Rot. Bonds23

About 2-methyl-N-(2-methyldodecan-2-yl)-N-(2-phenylethyl)dodecan-2-amine

2-methyl-N-(2-methyldodecan-2-yl)-N-(2-phenylethyl)dodecan-2-amine (PubChem CID 139722899) has the molecular formula C34H63N and a molecular weight of 485.89 g/mol. Its IUPAC name is 2-methyl-N-(2-methyldodecan-2-yl)-N-(2-phenylethyl)dodecan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methyldodecan-2-yl)-N-(2-phenylethyl)dodecan-2-amine
PubChem CID139722899
Molecular FormulaC34H63N
Molecular Weight485.89 g/mol
Exact Mass485.50
IUPAC Name2-methyl-N-(2-methyldodecan-2-yl)-N-(2-phenylethyl)dodecan-2-amine
SMILESCCCCCCCCCCC(C)(C)N(CCc1ccccc1)C(C)(C)CCCCCCCCCC
InChIInChI=1S/C34H63N/c1-7-9-11-13-15-17-19-24-29-33(3,4)35(31-28-32-26-22-21-23-27-32)34(5,6)30-25-20-18-16-14-12-10-8-2/h21-23,26-27H,7-20,24-25,28-31H2,1-6H3
InChIKeyAUQMNYVEADJUPL-UHFFFAOYSA-N
XLogP11.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.89
LogP ≤ 511.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(2-methylpentadecan-2-yl)-N-(2-phenylethyl)pentadecan-2-amine
CID 139723830
3,3-dimethyltetradecylbenzene
CID 141108755
2-methyl-N-(2-methyltridecan-2-yl)-N-nonyltridecan-2-amine
CID 139723690
N,N-bis(2-methyldecan-2-yl)dodecan-1-amine
CID 139723612
N,N-bis(2-methyldecan-2-yl)tridecan-1-amine
CID 139723232
N-hexyl-2-methyl-N-(2-methylheptadecan-2-yl)heptadecan-2-amine
CID 139723065
N,N-bis(2-methylnonan-2-yl)heptadecan-1-amine
CID 139724071
2-methyl-N-(2-methylpentadecan-2-yl)-N-pentadecylpentadecan-2-amine
CID 139723389
N-dodecyl-2-methyl-N-(2-methylhexadecan-2-yl)hexadecan-2-amine
CID 139723367
pentadecane;pentadecylbenzene
CID 174970881
pentanonacontylbenzene
CID 165359347
octacosylbenzene
CID 14228596

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyldodecan-2-yl)-N-(2-phenylethyl)dodecan-2-amine?
The IUPAC name of 2-methyl-N-(2-methyldodecan-2-yl)-N-(2-phenylethyl)dodecan-2-amine (CID 139722899) is 2-methyl-N-(2-methyldodecan-2-yl)-N-(2-phenylethyl)dodecan-2-amine.
What is the SMILES notation for 2-methyl-N-(2-methyldodecan-2-yl)-N-(2-phenylethyl)dodecan-2-amine?
The canonical SMILES for 2-methyl-N-(2-methyldodecan-2-yl)-N-(2-phenylethyl)dodecan-2-amine is CCCCCCCCCCC(C)(C)N(CCc1ccccc1)C(C)(C)CCCCCCCCCC.
What is the InChIKey of 2-methyl-N-(2-methyldodecan-2-yl)-N-(2-phenylethyl)dodecan-2-amine?
The InChIKey is AUQMNYVEADJUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H63N/c1-7-9-11-13-15-17-19-24-29-33(3,4)35(31-28-32-26-22-21-23-27-32)34(5,6)30-25-20-18-16-14-12-10-8-2/h21-23,26-27H,7-20,24-25,28-31H2,1-6H3.
What are the key properties of 2-methyl-N-(2-methyldodecan-2-yl)-N-(2-phenylethyl)dodecan-2-amine?
2-methyl-N-(2-methyldodecan-2-yl)-N-(2-phenylethyl)dodecan-2-amine has a molecular weight of 485.89 g/mol, XLogP of 11.15, 23 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyldodecan-2-yl)-N-(2-phenylethyl)dodecan-2-amine is sourced from PubChem (CID 139722899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).