N-ethyl-2-methylheptadecan-6-amine

C20H43N — CID 105028964

IUPACN-ethyl-2-methylheptadecan-6-amine
SMILESCCCCCCCCCCCC(CCCC(C)C)NCC
InChIInChI=1S/C20H43N/c1-5-7-8-9-10-11-12-13-14-17-20(21-6-2)18-15-16-19(3)4/h19-21H,5-18H2,1-4H3
InChIKeyRSGZPFJTMNBBLF-UHFFFAOYSA-N
MW297.57 g/mol
LogP6.71
Rot. Bonds16

About N-ethyl-2-methylheptadecan-6-amine

N-ethyl-2-methylheptadecan-6-amine (PubChem CID 105028964) has the molecular formula C20H43N and a molecular weight of 297.57 g/mol. Its IUPAC name is N-ethyl-2-methylheptadecan-6-amine.

Molecular Properties

Compound NameN-ethyl-2-methylheptadecan-6-amine
PubChem CID105028964
Molecular FormulaC20H43N
Molecular Weight297.57 g/mol
Exact Mass297.34
IUPAC NameN-ethyl-2-methylheptadecan-6-amine
SMILESCCCCCCCCCCCC(CCCC(C)C)NCC
InChIInChI=1S/C20H43N/c1-5-7-8-9-10-11-12-13-14-17-20(21-6-2)18-15-16-19(3)4/h19-21H,5-18H2,1-4H3
InChIKeyRSGZPFJTMNBBLF-UHFFFAOYSA-N
XLogP6.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
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
N-ethylhexadecan-4-amine
CID 63413885
N-ethyldecan-5-amine
CID 79405026
N-ethyl-2-methyldodecan-4-amine
CID 63412709
N-ethylnonan-3-amine
CID 60996683
2-methylpentaoctacontane
CID 90745672
2-methyldecane
CID 23415
2-methyltetratriacontane
CID 14275207
2-methyloctacosane
CID 519147
2-(ethylamino)nonan-1-ol
CID 61050713
N-ethyldecan-3-amine;dihydrochloride
CID 175708733
2-N-ethyl-1-N,1-N-dimethylnonane-1,2-diamine
CID 79092822

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methylheptadecan-6-amine?
The IUPAC name of N-ethyl-2-methylheptadecan-6-amine (CID 105028964) is N-ethyl-2-methylheptadecan-6-amine.
What is the SMILES notation for N-ethyl-2-methylheptadecan-6-amine?
The canonical SMILES for N-ethyl-2-methylheptadecan-6-amine is CCCCCCCCCCCC(CCCC(C)C)NCC.
What is the InChIKey of N-ethyl-2-methylheptadecan-6-amine?
The InChIKey is RSGZPFJTMNBBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43N/c1-5-7-8-9-10-11-12-13-14-17-20(21-6-2)18-15-16-19(3)4/h19-21H,5-18H2,1-4H3.
What are the key properties of N-ethyl-2-methylheptadecan-6-amine?
N-ethyl-2-methylheptadecan-6-amine has a molecular weight of 297.57 g/mol, XLogP of 6.71, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylheptadecan-6-amine is sourced from PubChem (CID 105028964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).