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

C28H59N — CID 139723254

IUPACN-ethyl-2-methyl-N-(2-methyldodecan-2-yl)dodecan-2-amine
SMILESCCCCCCCCCCC(C)(C)N(CC)C(C)(C)CCCCCCCCCC
InChIInChI=1S/C28H59N/c1-8-11-13-15-17-19-21-23-25-27(4,5)29(10-3)28(6,7)26-24-22-20-18-16-14-12-9-2/h8-26H2,1-7H3
InChIKeyAVDLQQVMCNOZLS-UHFFFAOYSA-N
MW409.79 g/mol
LogP9.93
Rot. Bonds21

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

N-ethyl-2-methyl-N-(2-methyldodecan-2-yl)dodecan-2-amine (PubChem CID 139723254) has the molecular formula C28H59N and a molecular weight of 409.79 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-(2-methyldodecan-2-yl)dodecan-2-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-(2-methyldodecan-2-yl)dodecan-2-amine
PubChem CID139723254
Molecular FormulaC28H59N
Molecular Weight409.79 g/mol
Exact Mass409.46
IUPAC NameN-ethyl-2-methyl-N-(2-methyldodecan-2-yl)dodecan-2-amine
SMILESCCCCCCCCCCC(C)(C)N(CC)C(C)(C)CCCCCCCCCC
InChIInChI=1S/C28H59N/c1-8-11-13-15-17-19-21-23-25-27(4,5)29(10-3)28(6,7)26-24-22-20-18-16-14-12-9-2/h8-26H2,1-7H3
InChIKeyAVDLQQVMCNOZLS-UHFFFAOYSA-N
XLogP9.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.79
LogP ≤ 59.93
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

N-ethyl-2-methyl-N-(2-methyloctan-2-yl)octan-2-amine
CID 139724053
N,N-bis(2-methyldecan-2-yl)dodecan-1-amine
CID 139723612
N,N-bis(2-methyldecan-2-yl)tridecan-1-amine
CID 139723232
2-methyl-N-(2-methyltridecan-2-yl)-N-nonyltridecan-2-amine
CID 139723690
N,N-bis(2-methyloctan-2-yl)pentadecan-1-amine
CID 139723897
2-methyl-N-(2-methylundecan-2-yl)-N-nonylundecan-2-amine
CID 139723201
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
N-butyl-2-methyl-N-(2-methylpentadecan-2-yl)pentadecan-2-amine
CID 139722679
N,N,2-trimethyltridecan-2-amine;hydrochloride
CID 175023190

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-(2-methyldodecan-2-yl)dodecan-2-amine?
The IUPAC name of N-ethyl-2-methyl-N-(2-methyldodecan-2-yl)dodecan-2-amine (CID 139723254) is N-ethyl-2-methyl-N-(2-methyldodecan-2-yl)dodecan-2-amine.
What is the SMILES notation for N-ethyl-2-methyl-N-(2-methyldodecan-2-yl)dodecan-2-amine?
The canonical SMILES for N-ethyl-2-methyl-N-(2-methyldodecan-2-yl)dodecan-2-amine is CCCCCCCCCCC(C)(C)N(CC)C(C)(C)CCCCCCCCCC.
What is the InChIKey of N-ethyl-2-methyl-N-(2-methyldodecan-2-yl)dodecan-2-amine?
The InChIKey is AVDLQQVMCNOZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H59N/c1-8-11-13-15-17-19-21-23-25-27(4,5)29(10-3)28(6,7)26-24-22-20-18-16-14-12-9-2/h8-26H2,1-7H3.
What are the key properties of N-ethyl-2-methyl-N-(2-methyldodecan-2-yl)dodecan-2-amine?
N-ethyl-2-methyl-N-(2-methyldodecan-2-yl)dodecan-2-amine has a molecular weight of 409.79 g/mol, XLogP of 9.93, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-(2-methyldodecan-2-yl)dodecan-2-amine is sourced from PubChem (CID 139723254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).