4-ethyl-2,2,5,5-tetramethyl-N-propan-2-ylhexan-3-amine

C15H33N — CID 139311655

IUPAC4-ethyl-2,2,5,5-tetramethyl-N-propan-2-ylhexan-3-amine
SMILESCCC(C(NC(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H33N/c1-10-12(14(4,5)6)13(15(7,8)9)16-11(2)3/h11-13,16H,10H2,1-9H3
InChIKeyQVERGTWOZMCVOT-UHFFFAOYSA-N
MW227.44 g/mol
LogP4.47
Rot. Bonds4

About 4-ethyl-2,2,5,5-tetramethyl-N-propan-2-ylhexan-3-amine

4-ethyl-2,2,5,5-tetramethyl-N-propan-2-ylhexan-3-amine (PubChem CID 139311655) has the molecular formula C15H33N and a molecular weight of 227.44 g/mol. Its IUPAC name is 4-ethyl-2,2,5,5-tetramethyl-N-propan-2-ylhexan-3-amine.

Molecular Properties

Compound Name4-ethyl-2,2,5,5-tetramethyl-N-propan-2-ylhexan-3-amine
PubChem CID139311655
Molecular FormulaC15H33N
Molecular Weight227.44 g/mol
Exact Mass227.26
IUPAC Name4-ethyl-2,2,5,5-tetramethyl-N-propan-2-ylhexan-3-amine
SMILESCCC(C(NC(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H33N/c1-10-12(14(4,5)6)13(15(7,8)9)16-11(2)3/h11-13,16H,10H2,1-9H3
InChIKeyQVERGTWOZMCVOT-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

3-ethyl-2,2,4,5-tetramethylhexane
CID 53428653
3-ethyl-2,2,4-trimethylheptane
CID 22354769
3-ethyl-2,2,4,6-tetramethyloctane
CID 57492379
(3S)-3-ethyl-2,2-difluoro-4-methylpentane
CID 178144568
3-ethyl-4-methyl-N-propan-2-ylpentan-2-amine
CID 123979572
2,2,5-trimethyl-3-propan-2-ylheptane
CID 57158137
propane;N-propan-2-ylpentan-3-amine
CID 144761250
3,3-dimethyl-2-(propan-2-ylamino)butan-1-ol
CID 61324367
3-ethyl-2,2,7-trimethyl-4,5-di(propan-2-yl)octane
CID 91329913
(3-ethyl-4,4-dimethylpentan-2-yl)-tri(propan-2-yloxy)silane
CID 91102793
1-(propan-2-ylamino)propan-1-ol
CID 20572331
CID 87569665
CID 87569665

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,2,5,5-tetramethyl-N-propan-2-ylhexan-3-amine?
The IUPAC name of 4-ethyl-2,2,5,5-tetramethyl-N-propan-2-ylhexan-3-amine (CID 139311655) is 4-ethyl-2,2,5,5-tetramethyl-N-propan-2-ylhexan-3-amine.
What is the SMILES notation for 4-ethyl-2,2,5,5-tetramethyl-N-propan-2-ylhexan-3-amine?
The canonical SMILES for 4-ethyl-2,2,5,5-tetramethyl-N-propan-2-ylhexan-3-amine is CCC(C(NC(C)C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 4-ethyl-2,2,5,5-tetramethyl-N-propan-2-ylhexan-3-amine?
The InChIKey is QVERGTWOZMCVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N/c1-10-12(14(4,5)6)13(15(7,8)9)16-11(2)3/h11-13,16H,10H2,1-9H3.
What are the key properties of 4-ethyl-2,2,5,5-tetramethyl-N-propan-2-ylhexan-3-amine?
4-ethyl-2,2,5,5-tetramethyl-N-propan-2-ylhexan-3-amine has a molecular weight of 227.44 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,2,5,5-tetramethyl-N-propan-2-ylhexan-3-amine is sourced from PubChem (CID 139311655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).