N-ethyl-N,6,7,7-tetramethyloctan-1-amine

C14H31N — CID 139519336

IUPACN-ethyl-N,6,7,7-tetramethyloctan-1-amine
SMILESCCN(C)CCCCCC(C)C(C)(C)C
InChIInChI=1S/C14H31N/c1-7-15(6)12-10-8-9-11-13(2)14(3,4)5/h13H,7-12H2,1-6H3
InChIKeyZVUFXZYBTBYDSJ-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.18
Rot. Bonds7

About N-ethyl-N,6,7,7-tetramethyloctan-1-amine

N-ethyl-N,6,7,7-tetramethyloctan-1-amine (PubChem CID 139519336) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is N-ethyl-N,6,7,7-tetramethyloctan-1-amine.

Molecular Properties

Compound NameN-ethyl-N,6,7,7-tetramethyloctan-1-amine
PubChem CID139519336
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC NameN-ethyl-N,6,7,7-tetramethyloctan-1-amine
SMILESCCN(C)CCCCCC(C)C(C)(C)C
InChIInChI=1S/C14H31N/c1-7-15(6)12-10-8-9-11-13(2)14(3,4)5/h13H,7-12H2,1-6H3
InChIKeyZVUFXZYBTBYDSJ-UHFFFAOYSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.18
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

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N-ethyl-N-methyloctadecan-1-amine;hydrochloride
CID 174373981
N-ethyl-N-methyldodecan-1-amine;hydrochloride
CID 86105251
2,2,3,8,8-pentamethylnonane
CID 57491849
N,N'-diethyl-N,N'-dimethylbutane-1,4-diamine;N-ethyl-N,N'-dimethyl-N'-pentylbutane-1,4-diamine;hexane
CID 160540999
ethane;N-ethyl-N-methylpentan-1-amine
CID 142145247
15,16,16-trimethylheptadec-1-ene
CID 174505406
1-N,6-diethyl-1-N-methyl-6-pentan-2-yldecane-1,8-diamine
CID 91138408
ethane;N-ethyl-N,3-dimethylbutan-1-amine
CID 143818510
N,7-dimethyl-N-propylnonan-1-amine
CID 174179101

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,6,7,7-tetramethyloctan-1-amine?
The IUPAC name of N-ethyl-N,6,7,7-tetramethyloctan-1-amine (CID 139519336) is N-ethyl-N,6,7,7-tetramethyloctan-1-amine.
What is the SMILES notation for N-ethyl-N,6,7,7-tetramethyloctan-1-amine?
The canonical SMILES for N-ethyl-N,6,7,7-tetramethyloctan-1-amine is CCN(C)CCCCCC(C)C(C)(C)C.
What is the InChIKey of N-ethyl-N,6,7,7-tetramethyloctan-1-amine?
The InChIKey is ZVUFXZYBTBYDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N/c1-7-15(6)12-10-8-9-11-13(2)14(3,4)5/h13H,7-12H2,1-6H3.
What are the key properties of N-ethyl-N,6,7,7-tetramethyloctan-1-amine?
N-ethyl-N,6,7,7-tetramethyloctan-1-amine has a molecular weight of 213.41 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,6,7,7-tetramethyloctan-1-amine is sourced from PubChem (CID 139519336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).