N-[[4-(2,2-dimethylpropoxy)phenyl]methyl]-N,8,8-trimethyldecan-1-amine

C25H45NO — CID 167290828

IUPACN-[[4-(2,2-dimethylpropoxy)phenyl]methyl]-N,8,8-trimethyldecan-1-amine
SMILESCCC(C)(C)CCCCCCCN(C)Cc1ccc(OCC(C)(C)C)cc1
InChIInChI=1S/C25H45NO/c1-8-25(5,6)18-12-10-9-11-13-19-26(7)20-22-14-16-23(17-15-22)27-21-24(2,3)4/h14-17H,8-13,18-21H2,1-7H3
InChIKeyZNOPUNQQIKFMRR-UHFFFAOYSA-N
MW375.64 g/mol
LogP7.32
Rot. Bonds13

About N-[[4-(2,2-dimethylpropoxy)phenyl]methyl]-N,8,8-trimethyldecan-1-amine

N-[[4-(2,2-dimethylpropoxy)phenyl]methyl]-N,8,8-trimethyldecan-1-amine (PubChem CID 167290828) has the molecular formula C25H45NO and a molecular weight of 375.64 g/mol. Its IUPAC name is N-[[4-(2,2-dimethylpropoxy)phenyl]methyl]-N,8,8-trimethyldecan-1-amine.

Molecular Properties

Compound NameN-[[4-(2,2-dimethylpropoxy)phenyl]methyl]-N,8,8-trimethyldecan-1-amine
PubChem CID167290828
Molecular FormulaC25H45NO
Molecular Weight375.64 g/mol
Exact Mass375.35
IUPAC NameN-[[4-(2,2-dimethylpropoxy)phenyl]methyl]-N,8,8-trimethyldecan-1-amine
SMILESCCC(C)(C)CCCCCCCN(C)Cc1ccc(OCC(C)(C)C)cc1
InChIInChI=1S/C25H45NO/c1-8-25(5,6)18-12-10-9-11-13-19-26(7)20-22-14-16-23(17-15-22)27-21-24(2,3)4/h14-17H,8-13,18-21H2,1-7H3
InChIKeyZNOPUNQQIKFMRR-UHFFFAOYSA-N
XLogP7.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.64
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[4-(2,2-dimethylpropoxy)phenyl]methyl]-N,8,8-trimethyldecan-1-amine with MolForge

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Related Compounds

ethane;N-[(4-ethoxyphenyl)methyl]-N-methylheptan-1-amine
CID 156653185
1-(5,5-dimethylhexyl)-4-(2,2-dimethylpropoxy)benzene
CID 167387215
1-(6,6-dimethyloctyl)-4-methoxybenzene
CID 54371242
N'-methyl-N'-[(4-propoxyphenyl)methyl]propane-1,3-diamine
CID 113285685
9-[(4-methoxyphenyl)methyl-methylamino]nonane-1-thiol
CID 105344151
1-(2,2-dimethylpropoxy)-4-ethoxybenzene
CID 170603637
N,N,8,8-tetramethyldecan-1-amine
CID 90127561
N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylhexane-1,6-diamine
CID 106707877
4-[[4,4-dimethylpentyl(methyl)amino]methyl]benzoic acid
CID 114209635
3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpropan-1-amine
CID 115215688
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
4-[3-[benzyl(methyl)amino]propoxy]benzoic acid
CID 20991269

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,2-dimethylpropoxy)phenyl]methyl]-N,8,8-trimethyldecan-1-amine?
The IUPAC name of N-[[4-(2,2-dimethylpropoxy)phenyl]methyl]-N,8,8-trimethyldecan-1-amine (CID 167290828) is N-[[4-(2,2-dimethylpropoxy)phenyl]methyl]-N,8,8-trimethyldecan-1-amine.
What is the SMILES notation for N-[[4-(2,2-dimethylpropoxy)phenyl]methyl]-N,8,8-trimethyldecan-1-amine?
The canonical SMILES for N-[[4-(2,2-dimethylpropoxy)phenyl]methyl]-N,8,8-trimethyldecan-1-amine is CCC(C)(C)CCCCCCCN(C)Cc1ccc(OCC(C)(C)C)cc1.
What is the InChIKey of N-[[4-(2,2-dimethylpropoxy)phenyl]methyl]-N,8,8-trimethyldecan-1-amine?
The InChIKey is ZNOPUNQQIKFMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H45NO/c1-8-25(5,6)18-12-10-9-11-13-19-26(7)20-22-14-16-23(17-15-22)27-21-24(2,3)4/h14-17H,8-13,18-21H2,1-7H3.
What are the key properties of N-[[4-(2,2-dimethylpropoxy)phenyl]methyl]-N,8,8-trimethyldecan-1-amine?
N-[[4-(2,2-dimethylpropoxy)phenyl]methyl]-N,8,8-trimethyldecan-1-amine has a molecular weight of 375.64 g/mol, XLogP of 7.32, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,2-dimethylpropoxy)phenyl]methyl]-N,8,8-trimethyldecan-1-amine is sourced from PubChem (CID 167290828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).