N-ethyl-2,4,4,5,5,6-hexamethylheptan-2-amine

C15H33N — CID 129309764

IUPACN-ethyl-2,4,4,5,5,6-hexamethylheptan-2-amine
SMILESCCNC(C)(C)CC(C)(C)C(C)(C)C(C)C
InChIInChI=1S/C15H33N/c1-10-16-14(6,7)11-13(4,5)15(8,9)12(2)3/h12,16H,10-11H2,1-9H3
InChIKeyIHDCTUWYALWNBN-UHFFFAOYSA-N
MW227.44 g/mol
LogP4.47
Rot. Bonds6

About N-ethyl-2,4,4,5,5,6-hexamethylheptan-2-amine

N-ethyl-2,4,4,5,5,6-hexamethylheptan-2-amine (PubChem CID 129309764) has the molecular formula C15H33N and a molecular weight of 227.44 g/mol. Its IUPAC name is N-ethyl-2,4,4,5,5,6-hexamethylheptan-2-amine.

Molecular Properties

Compound NameN-ethyl-2,4,4,5,5,6-hexamethylheptan-2-amine
PubChem CID129309764
Molecular FormulaC15H33N
Molecular Weight227.44 g/mol
Exact Mass227.26
IUPAC NameN-ethyl-2,4,4,5,5,6-hexamethylheptan-2-amine
SMILESCCNC(C)(C)CC(C)(C)C(C)(C)C(C)C
InChIInChI=1S/C15H33N/c1-10-16-14(6,7)11-13(4,5)15(8,9)12(2)3/h12,16H,10-11H2,1-9H3
InChIKeyIHDCTUWYALWNBN-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,4-trimethyl-N-(2-methylpropyl)hexan-2-amine
CID 137458750
2-(ethylamino)-2-methylpropan-1-ol
CID 15105174
2-N-ethyl-2-methyl-1-N-(2-methylbutyl)propane-1,2-diamine
CID 62835035
2-N-ethyl-1-N-(3-ethylpentan-3-yl)-2-methylpropane-1,2-diamine
CID 65041307
N-ethyl-2-methyl-3-silylpentan-3-amine
CID 173064739
2-(ethylamino)-3-methyl-2-propan-2-ylbutanenitrile
CID 141254263
ethane;N-ethyl-1-methoxy-2-methylpropan-2-amine
CID 177317291
1-N-ethyl-2-N-[2-(ethylamino)-2-methylpropyl]-2-methylpropane-1,2-diamine
CID 134313991
2-(ethylamino)-3-methyl-2-propan-2-ylbutan-1-ol
CID 174847311
2-N-ethyl-2-methyl-1-N-(5-methylhexyl)propane-1,2-diamine
CID 115326129
ethyl-[2-(ethylamino)-2-methylpropyl]-dimethylazanium
CID 123984846
N-ethyl-2-methyloctan-2-amine
CID 123477104

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,4,4,5,5,6-hexamethylheptan-2-amine?
The IUPAC name of N-ethyl-2,4,4,5,5,6-hexamethylheptan-2-amine (CID 129309764) is N-ethyl-2,4,4,5,5,6-hexamethylheptan-2-amine.
What is the SMILES notation for N-ethyl-2,4,4,5,5,6-hexamethylheptan-2-amine?
The canonical SMILES for N-ethyl-2,4,4,5,5,6-hexamethylheptan-2-amine is CCNC(C)(C)CC(C)(C)C(C)(C)C(C)C.
What is the InChIKey of N-ethyl-2,4,4,5,5,6-hexamethylheptan-2-amine?
The InChIKey is IHDCTUWYALWNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N/c1-10-16-14(6,7)11-13(4,5)15(8,9)12(2)3/h12,16H,10-11H2,1-9H3.
What are the key properties of N-ethyl-2,4,4,5,5,6-hexamethylheptan-2-amine?
N-ethyl-2,4,4,5,5,6-hexamethylheptan-2-amine has a molecular weight of 227.44 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,4,4,5,5,6-hexamethylheptan-2-amine is sourced from PubChem (CID 129309764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).