N-ethyl-2,2-dimethylhexadecan-4-amine

C20H43N — CID 63891733

IUPACN-ethyl-2,2-dimethylhexadecan-4-amine
SMILESCCCCCCCCCCCCC(CC(C)(C)C)NCC
InChIInChI=1S/C20H43N/c1-6-8-9-10-11-12-13-14-15-16-17-19(21-7-2)18-20(3,4)5/h19,21H,6-18H2,1-5H3
InChIKeyIIMMYRNZEXMYBY-UHFFFAOYSA-N
MW297.57 g/mol
LogP6.71
Rot. Bonds14

About N-ethyl-2,2-dimethylhexadecan-4-amine

N-ethyl-2,2-dimethylhexadecan-4-amine (PubChem CID 63891733) has the molecular formula C20H43N and a molecular weight of 297.57 g/mol. Its IUPAC name is N-ethyl-2,2-dimethylhexadecan-4-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethylhexadecan-4-amine
PubChem CID63891733
Molecular FormulaC20H43N
Molecular Weight297.57 g/mol
Exact Mass297.34
IUPAC NameN-ethyl-2,2-dimethylhexadecan-4-amine
SMILESCCCCCCCCCCCCC(CC(C)(C)C)NCC
InChIInChI=1S/C20H43N/c1-6-8-9-10-11-12-13-14-15-16-17-19(21-7-2)18-20(3,4)5/h19,21H,6-18H2,1-5H3
InChIKeyIIMMYRNZEXMYBY-UHFFFAOYSA-N
XLogP6.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.57
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyltetradecan-7-amine
CID 87847195
2,2-dimethyltridecan-4-ylhydrazine
CID 105220297
N-ethylhexadecan-4-amine
CID 63413885
N-ethylnonan-3-amine
CID 60996683
N-ethyldecan-5-amine
CID 79405026
N-ethyldecan-3-amine;dihydrochloride
CID 175708733
2-(ethylamino)nonan-1-ol
CID 61050713
N-ethyl-2-methyldodecan-4-amine
CID 63412709
N-ethyl-2-methylheptadecan-6-amine
CID 105028964
N-ethyl-1-methoxydecan-2-amine
CID 62320563
2-N-ethyl-1-N,1-N-dimethylnonane-1,2-diamine
CID 79092822
1-ethoxy-N-ethylundecan-4-amine
CID 105124652

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethylhexadecan-4-amine?
The IUPAC name of N-ethyl-2,2-dimethylhexadecan-4-amine (CID 63891733) is N-ethyl-2,2-dimethylhexadecan-4-amine.
What is the SMILES notation for N-ethyl-2,2-dimethylhexadecan-4-amine?
The canonical SMILES for N-ethyl-2,2-dimethylhexadecan-4-amine is CCCCCCCCCCCCC(CC(C)(C)C)NCC.
What is the InChIKey of N-ethyl-2,2-dimethylhexadecan-4-amine?
The InChIKey is IIMMYRNZEXMYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43N/c1-6-8-9-10-11-12-13-14-15-16-17-19(21-7-2)18-20(3,4)5/h19,21H,6-18H2,1-5H3.
What are the key properties of N-ethyl-2,2-dimethylhexadecan-4-amine?
N-ethyl-2,2-dimethylhexadecan-4-amine has a molecular weight of 297.57 g/mol, XLogP of 6.71, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethylhexadecan-4-amine is sourced from PubChem (CID 63891733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).