N-ethylethanamine;2,2,4,4,6-pentamethylheptane

C16H37N — CID 177149060

IUPACN-ethylethanamine;2,2,4,4,6-pentamethylheptane
SMILESCC(C)CC(C)(C)CC(C)(C)C.CCNCC
InChIInChI=1S/C12H26.C4H11N/c1-10(2)8-12(6,7)9-11(3,4)5;1-3-5-4-2/h10H,8-9H2,1-7H3;5H,3-4H2,1-2H3
InChIKeyVDQQVMNEEIJOEW-UHFFFAOYSA-N
MW243.48 g/mol
LogP5.11
Rot. Bonds5

About N-ethylethanamine;2,2,4,4,6-pentamethylheptane

N-ethylethanamine;2,2,4,4,6-pentamethylheptane (PubChem CID 177149060) has the molecular formula C16H37N and a molecular weight of 243.48 g/mol. Its IUPAC name is N-ethylethanamine;2,2,4,4,6-pentamethylheptane.

Molecular Properties

Compound NameN-ethylethanamine;2,2,4,4,6-pentamethylheptane
PubChem CID177149060
Molecular FormulaC16H37N
Molecular Weight243.48 g/mol
Exact Mass243.29
IUPAC NameN-ethylethanamine;2,2,4,4,6-pentamethylheptane
SMILESCC(C)CC(C)(C)CC(C)(C)C.CCNCC
InChIInChI=1S/C12H26.C4H11N/c1-10(2)8-12(6,7)9-11(3,4)5;1-3-5-4-2/h10H,8-9H2,1-7H3;5H,3-4H2,1-2H3
InChIKeyVDQQVMNEEIJOEW-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500243.48
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2,2,4,4-tetramethylpentan-1-amine
CID 142123561
4-(2,2-dimethylpropyl)-2,2,6,6-tetramethyl-4-(2-methylpropyl)heptane
CID 167346782
2,2,4,4,6,6-hexamethylheptane
CID 2795065
2,2,4,4,6-pentamethylheptane-1-thiol
CID 175071288
N-(1,2-13C2)ethyl(1,2-13C2)ethanamine
CID 71309791
3-[2-[[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]-propan-2-ylamino]ethyl-propan-2-ylamino]-N-(2,2,4-trimethylpentyl)propanamide
CID 89061392
2,2,4,4,6,8,8-heptamethylnonane;hexadecane
CID 162121886
3,5,5-trimethyl-3-(2-methylpropyl)hexan-2-one
CID 130306251
2,4,4,5,6-pentamethyloctane
CID 57491109
N'-(2,4,4,6,6-pentamethylheptyl)ethane-1,2-diamine
CID 59969220
N-ethyl-2-methyl-2-(2-methylpropoxy)butan-1-amine
CID 62355640
3,3,5,5,7-pentamethyloctan-1-ol
CID 121365228

Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;2,2,4,4,6-pentamethylheptane?
The IUPAC name of N-ethylethanamine;2,2,4,4,6-pentamethylheptane (CID 177149060) is N-ethylethanamine;2,2,4,4,6-pentamethylheptane.
What is the SMILES notation for N-ethylethanamine;2,2,4,4,6-pentamethylheptane?
The canonical SMILES for N-ethylethanamine;2,2,4,4,6-pentamethylheptane is CC(C)CC(C)(C)CC(C)(C)C.CCNCC.
What is the InChIKey of N-ethylethanamine;2,2,4,4,6-pentamethylheptane?
The InChIKey is VDQQVMNEEIJOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26.C4H11N/c1-10(2)8-12(6,7)9-11(3,4)5;1-3-5-4-2/h10H,8-9H2,1-7H3;5H,3-4H2,1-2H3.
What are the key properties of N-ethylethanamine;2,2,4,4,6-pentamethylheptane?
N-ethylethanamine;2,2,4,4,6-pentamethylheptane has a molecular weight of 243.48 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;2,2,4,4,6-pentamethylheptane is sourced from PubChem (CID 177149060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).