N-ethyl-N,4,5,5-tetramethylhexan-2-amine

C12H27N — CID 139472811

IUPACN-ethyl-N,4,5,5-tetramethylhexan-2-amine
SMILESCCN(C)C(C)CC(C)C(C)(C)C
InChIInChI=1S/C12H27N/c1-8-13(7)11(3)9-10(2)12(4,5)6/h10-11H,8-9H2,1-7H3
InChIKeyBDAWPKJSLUVNTI-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.40
Rot. Bonds4

About N-ethyl-N,4,5,5-tetramethylhexan-2-amine

N-ethyl-N,4,5,5-tetramethylhexan-2-amine (PubChem CID 139472811) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is N-ethyl-N,4,5,5-tetramethylhexan-2-amine.

Molecular Properties

Compound NameN-ethyl-N,4,5,5-tetramethylhexan-2-amine
PubChem CID139472811
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC NameN-ethyl-N,4,5,5-tetramethylhexan-2-amine
SMILESCCN(C)C(C)CC(C)C(C)(C)C
InChIInChI=1S/C12H27N/c1-8-13(7)11(3)9-10(2)12(4,5)6/h10-11H,8-9H2,1-7H3
InChIKeyBDAWPKJSLUVNTI-UHFFFAOYSA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 158668503
1-N-tert-butyl-3-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine
CID 129302510
4-N-ethyl-2-N,4-N,2-trimethylpentane-2,4-diamine
CID 143372866
ethanol;N-ethyl-N-methylbutan-2-amine
CID 88665747
5-bromo-2,2,3-trimethylhexane
CID 64719255
(2S)-2-N-ethyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine
CID 143518615
ethane;(2R)-N-ethyl-N-methylpentan-2-amine
CID 142583789
1-N'-ethyl-1-N',2-dimethylpropane-1,1-diamine
CID 154977516
N-ethyl-2,5,6,6-tetramethylheptan-3-amine
CID 114978235
N-ethyl-2,2,5,6,6-pentamethylheptan-3-amine
CID 115854187
(3S)-N,3,4,4-tetramethyl-N-[(2S)-3-methylbutan-2-yl]pentan-1-amine
CID 170065203
N-ethyl-N,6,7,7-tetramethyloctan-1-amine
CID 139519336

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,4,5,5-tetramethylhexan-2-amine?
The IUPAC name of N-ethyl-N,4,5,5-tetramethylhexan-2-amine (CID 139472811) is N-ethyl-N,4,5,5-tetramethylhexan-2-amine.
What is the SMILES notation for N-ethyl-N,4,5,5-tetramethylhexan-2-amine?
The canonical SMILES for N-ethyl-N,4,5,5-tetramethylhexan-2-amine is CCN(C)C(C)CC(C)C(C)(C)C.
What is the InChIKey of N-ethyl-N,4,5,5-tetramethylhexan-2-amine?
The InChIKey is BDAWPKJSLUVNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-8-13(7)11(3)9-10(2)12(4,5)6/h10-11H,8-9H2,1-7H3.
What are the key properties of N-ethyl-N,4,5,5-tetramethylhexan-2-amine?
N-ethyl-N,4,5,5-tetramethylhexan-2-amine has a molecular weight of 185.35 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,4,5,5-tetramethylhexan-2-amine is sourced from PubChem (CID 139472811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).