N-ethyl-3,5,5-trimethyl-1-phenylhexan-1-amine

C17H29N — CID 43489064

IUPACN-ethyl-3,5,5-trimethyl-1-phenylhexan-1-amine
SMILESCCNC(CC(C)CC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H29N/c1-6-18-16(15-10-8-7-9-11-15)12-14(2)13-17(3,4)5/h7-11,14,16,18H,6,12-13H2,1-5H3
InChIKeyIWEKJTPBOIHNDT-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.80
Rot. Bonds6

About N-ethyl-3,5,5-trimethyl-1-phenylhexan-1-amine

N-ethyl-3,5,5-trimethyl-1-phenylhexan-1-amine (PubChem CID 43489064) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-ethyl-3,5,5-trimethyl-1-phenylhexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,5,5-trimethyl-1-phenylhexan-1-amine
PubChem CID43489064
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-ethyl-3,5,5-trimethyl-1-phenylhexan-1-amine
SMILESCCNC(CC(C)CC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H29N/c1-6-18-16(15-10-8-7-9-11-15)12-14(2)13-17(3,4)5/h7-11,14,16,18H,6,12-13H2,1-5H3
InChIKeyIWEKJTPBOIHNDT-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-3,5,5-trimethyl-1-(4-methylphenyl)hexan-1-amine
CID 43489288
1-(1-benzothiophen-3-yl)-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 43492293
1-(2,3-difluorophenyl)-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 115861992
1-(2,3-dihydrofuran-5-yl)-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 102653222
N-ethyl-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 43489138
N-ethyl-3,5,5-trimethyl-1-(3-methyltriazol-4-yl)hexan-1-amine
CID 105043720
N-ethyl-1-(2-fluoro-5-methylphenyl)-3,5,5-trimethylhexan-1-amine
CID 115852817
N-ethyl-3,5,5-trimethyl-1-pyrazin-2-ylhexan-1-amine
CID 115860523
N-ethyl-3,5,5-trimethyl-1-(3-propyltriazol-4-yl)hexan-1-amine
CID 105038801
1-(2-chloro-4,5-difluorophenyl)-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 107476446
1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 79726732
1-(5-chloro-4-methylthiophen-2-yl)-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 102763898

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5,5-trimethyl-1-phenylhexan-1-amine?
The IUPAC name of N-ethyl-3,5,5-trimethyl-1-phenylhexan-1-amine (CID 43489064) is N-ethyl-3,5,5-trimethyl-1-phenylhexan-1-amine.
What is the SMILES notation for N-ethyl-3,5,5-trimethyl-1-phenylhexan-1-amine?
The canonical SMILES for N-ethyl-3,5,5-trimethyl-1-phenylhexan-1-amine is CCNC(CC(C)CC(C)(C)C)c1ccccc1.
What is the InChIKey of N-ethyl-3,5,5-trimethyl-1-phenylhexan-1-amine?
The InChIKey is IWEKJTPBOIHNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-6-18-16(15-10-8-7-9-11-15)12-14(2)13-17(3,4)5/h7-11,14,16,18H,6,12-13H2,1-5H3.
What are the key properties of N-ethyl-3,5,5-trimethyl-1-phenylhexan-1-amine?
N-ethyl-3,5,5-trimethyl-1-phenylhexan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5,5-trimethyl-1-phenylhexan-1-amine is sourced from PubChem (CID 43489064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).