N-ethyl-2,2-dimethyl-6-phenylhexan-3-amine

C16H27N — CID 62600038

IUPACN-ethyl-2,2-dimethyl-6-phenylhexan-3-amine
SMILESCCNC(CCCc1ccccc1)C(C)(C)C
InChIInChI=1S/C16H27N/c1-5-17-15(16(2,3)4)13-9-12-14-10-7-6-8-11-14/h6-8,10-11,15,17H,5,9,12-13H2,1-4H3
InChIKeyMLNDURBGFKZXDL-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.03
Rot. Bonds6

About N-ethyl-2,2-dimethyl-6-phenylhexan-3-amine

N-ethyl-2,2-dimethyl-6-phenylhexan-3-amine (PubChem CID 62600038) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-6-phenylhexan-3-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-6-phenylhexan-3-amine
PubChem CID62600038
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-ethyl-2,2-dimethyl-6-phenylhexan-3-amine
SMILESCCNC(CCCc1ccccc1)C(C)(C)C
InChIInChI=1S/C16H27N/c1-5-17-15(16(2,3)4)13-9-12-14-10-7-6-8-11-14/h6-8,10-11,15,17H,5,9,12-13H2,1-4H3
InChIKeyMLNDURBGFKZXDL-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methoxy-2-methyl-6-phenyl-N-propylhexan-3-amine
CID 79198405
N-ethyl-4,4-dimethyl-1-phenoxypentan-3-amine
CID 62394669
(2R)-2-(ethylamino)-5-phenylpentanoic acid
CID 151918023
N-ethyl-6-(5-ethyl-2-pyridinyl)-2,2-dimethylhexan-3-amine
CID 79738785
N-ethyl-8,8,8-trifluoro-1-phenyloctan-4-amine
CID 105174493
3-N,3-N,3-trimethyl-7-phenyl-4-N-propylheptane-3,4-diamine
CID 79057538
1-(2-bromophenyl)-N-ethyl-4,4-dimethylpentan-3-amine
CID 54891491
N-ethyl-4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-3-amine
CID 63399897
2-tert-butyl-5-phenyl-N-propan-2-ylpentan-1-amine
CID 83138928
1-ethoxy-N-ethyl-7-phenylheptan-4-amine
CID 105139776
N-ethyl-1-(4-methylphenyl)-4-phenylbutan-1-amine
CID 63411938
N,N-diethyl-4-hydrazinyl-3-methyl-7-phenylheptan-3-amine
CID 105240772

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-6-phenylhexan-3-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-6-phenylhexan-3-amine (CID 62600038) is N-ethyl-2,2-dimethyl-6-phenylhexan-3-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-6-phenylhexan-3-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-6-phenylhexan-3-amine is CCNC(CCCc1ccccc1)C(C)(C)C.
What is the InChIKey of N-ethyl-2,2-dimethyl-6-phenylhexan-3-amine?
The InChIKey is MLNDURBGFKZXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-5-17-15(16(2,3)4)13-9-12-14-10-7-6-8-11-14/h6-8,10-11,15,17H,5,9,12-13H2,1-4H3.
What are the key properties of N-ethyl-2,2-dimethyl-6-phenylhexan-3-amine?
N-ethyl-2,2-dimethyl-6-phenylhexan-3-amine has a molecular weight of 233.40 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-6-phenylhexan-3-amine is sourced from PubChem (CID 62600038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).