2,2-dimethyl-6-(2,3,6-trimethylphenoxy)hexan-1-amine

C17H29NO — CID 106708623

IUPAC2,2-dimethyl-6-(2,3,6-trimethylphenoxy)hexan-1-amine
SMILESCc1ccc(C)c(OCCCCC(C)(C)CN)c1C
InChIInChI=1S/C17H29NO/c1-13-8-9-14(2)16(15(13)3)19-11-7-6-10-17(4,5)12-18/h8-9H,6-7,10-12,18H2,1-5H3
InChIKeyZYISFABPTJFCSQ-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.15
Rot. Bonds7

About 2,2-dimethyl-6-(2,3,6-trimethylphenoxy)hexan-1-amine

2,2-dimethyl-6-(2,3,6-trimethylphenoxy)hexan-1-amine (PubChem CID 106708623) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 2,2-dimethyl-6-(2,3,6-trimethylphenoxy)hexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-6-(2,3,6-trimethylphenoxy)hexan-1-amine
PubChem CID106708623
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name2,2-dimethyl-6-(2,3,6-trimethylphenoxy)hexan-1-amine
SMILESCc1ccc(C)c(OCCCCC(C)(C)CN)c1C
InChIInChI=1S/C17H29NO/c1-13-8-9-14(2)16(15(13)3)19-11-7-6-10-17(4,5)12-18/h8-9H,6-7,10-12,18H2,1-5H3
InChIKeyZYISFABPTJFCSQ-UHFFFAOYSA-N
XLogP4.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-methyl-5-(2,3,6-trimethylphenoxy)pentan-2-ol
CID 64813384
N-tert-butyl-4-(2,3,6-trimethylphenoxy)butan-1-amine
CID 62485325
2,2-dimethyl-5-(2,3,6-trimethylphenoxy)pentanethioamide
CID 65257231
2-(9-bromononoxy)-1,3,4-trimethylbenzene
CID 105343302
5-(2,5-dimethylphenoxy)-2,2-dimethylpentan-1-amine
CID 54855402
2-(3-bromopropoxy)-1,3,4-trimethylbenzene
CID 43345569
2-methyl-2-(methylamino)-5-(2,3,6-trimethylphenoxy)pentan-1-ol
CID 64807692
2,2-dimethyl-6-(4-methylsulfonylphenoxy)hexan-1-amine
CID 106708655
1-[4-(2,3,6-trimethylphenoxy)butyl]aziridine
CID 125464384
6-methoxy-2,2-dimethylhexan-1-amine
CID 104649285
1,2,4-trimethyl-3-pent-4-ynoxybenzene
CID 82363090
N-butyl-4-(2,3,6-trimethylphenoxy)butan-1-amine;hydrochloride
CID 2866081

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(2,3,6-trimethylphenoxy)hexan-1-amine?
The IUPAC name of 2,2-dimethyl-6-(2,3,6-trimethylphenoxy)hexan-1-amine (CID 106708623) is 2,2-dimethyl-6-(2,3,6-trimethylphenoxy)hexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-6-(2,3,6-trimethylphenoxy)hexan-1-amine?
The canonical SMILES for 2,2-dimethyl-6-(2,3,6-trimethylphenoxy)hexan-1-amine is Cc1ccc(C)c(OCCCCC(C)(C)CN)c1C.
What is the InChIKey of 2,2-dimethyl-6-(2,3,6-trimethylphenoxy)hexan-1-amine?
The InChIKey is ZYISFABPTJFCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-13-8-9-14(2)16(15(13)3)19-11-7-6-10-17(4,5)12-18/h8-9H,6-7,10-12,18H2,1-5H3.
What are the key properties of 2,2-dimethyl-6-(2,3,6-trimethylphenoxy)hexan-1-amine?
2,2-dimethyl-6-(2,3,6-trimethylphenoxy)hexan-1-amine has a molecular weight of 263.42 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(2,3,6-trimethylphenoxy)hexan-1-amine is sourced from PubChem (CID 106708623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).