N-ethyl-2-methyldodecan-4-amine

C15H33N — CID 63412709

IUPACN-ethyl-2-methyldodecan-4-amine
SMILESCCCCCCCCC(CC(C)C)NCC
InChIInChI=1S/C15H33N/c1-5-7-8-9-10-11-12-15(16-6-2)13-14(3)4/h14-16H,5-13H2,1-4H3
InChIKeyJSOBTBXQFBCFBK-UHFFFAOYSA-N
MW227.44 g/mol
LogP4.76
Rot. Bonds11

About N-ethyl-2-methyldodecan-4-amine

N-ethyl-2-methyldodecan-4-amine (PubChem CID 63412709) has the molecular formula C15H33N and a molecular weight of 227.44 g/mol. Its IUPAC name is N-ethyl-2-methyldodecan-4-amine.

Molecular Properties

Compound NameN-ethyl-2-methyldodecan-4-amine
PubChem CID63412709
Molecular FormulaC15H33N
Molecular Weight227.44 g/mol
Exact Mass227.26
IUPAC NameN-ethyl-2-methyldodecan-4-amine
SMILESCCCCCCCCC(CC(C)C)NCC
InChIInChI=1S/C15H33N/c1-5-7-8-9-10-11-12-15(16-6-2)13-14(3)4/h14-16H,5-13H2,1-4H3
InChIKeyJSOBTBXQFBCFBK-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.44
LogP ≤ 54.76
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-ethyl-4-methylpentadecan-6-amine
CID 115845701
N-ethyl-2-methylheptadecan-6-amine
CID 105028964
N-ethylhexadecan-4-amine
CID 63413885
N-ethylnonan-3-amine
CID 60996683
N-ethyldecan-5-amine
CID 79405026
N,5-diethylpentadecan-7-amine
CID 115806799
2-(ethylamino)nonan-1-ol
CID 61050713
N-ethyldecan-3-amine;dihydrochloride
CID 175708733
1-N,4-N-diethylnonane-1,4-diamine
CID 126574797
2-N-ethyl-1-N,1-N-dimethylnonane-1,2-diamine
CID 79092822
N-ethyl-2,2-dimethylhexadecan-4-amine
CID 63891733

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyldodecan-4-amine?
The IUPAC name of N-ethyl-2-methyldodecan-4-amine (CID 63412709) is N-ethyl-2-methyldodecan-4-amine.
What is the SMILES notation for N-ethyl-2-methyldodecan-4-amine?
The canonical SMILES for N-ethyl-2-methyldodecan-4-amine is CCCCCCCCC(CC(C)C)NCC.
What is the InChIKey of N-ethyl-2-methyldodecan-4-amine?
The InChIKey is JSOBTBXQFBCFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N/c1-5-7-8-9-10-11-12-15(16-6-2)13-14(3)4/h14-16H,5-13H2,1-4H3.
What are the key properties of N-ethyl-2-methyldodecan-4-amine?
N-ethyl-2-methyldodecan-4-amine has a molecular weight of 227.44 g/mol, XLogP of 4.76, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyldodecan-4-amine is sourced from PubChem (CID 63412709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).