N,N-ditert-butyl-6-(4-ethenylphenoxy)hexan-1-amine

C22H37NO — CID 68645784

IUPACN,N-ditert-butyl-6-(4-ethenylphenoxy)hexan-1-amine
SMILESC=Cc1ccc(OCCCCCCN(C(C)(C)C)C(C)(C)C)cc1
InChIInChI=1S/C22H37NO/c1-8-19-13-15-20(16-14-19)24-18-12-10-9-11-17-23(21(2,3)4)22(5,6)7/h8,13-16H,1,9-12,17-18H2,2-7H3
InChIKeyRRCDAXJXAFGJRU-UHFFFAOYSA-N
MW331.54 g/mol
LogP6.17
Rot. Bonds9

About N,N-ditert-butyl-6-(4-ethenylphenoxy)hexan-1-amine

N,N-ditert-butyl-6-(4-ethenylphenoxy)hexan-1-amine (PubChem CID 68645784) has the molecular formula C22H37NO and a molecular weight of 331.54 g/mol. Its IUPAC name is N,N-ditert-butyl-6-(4-ethenylphenoxy)hexan-1-amine.

Molecular Properties

Compound NameN,N-ditert-butyl-6-(4-ethenylphenoxy)hexan-1-amine
PubChem CID68645784
Molecular FormulaC22H37NO
Molecular Weight331.54 g/mol
Exact Mass331.29
IUPAC NameN,N-ditert-butyl-6-(4-ethenylphenoxy)hexan-1-amine
SMILESC=Cc1ccc(OCCCCCCN(C(C)(C)C)C(C)(C)C)cc1
InChIInChI=1S/C22H37NO/c1-8-19-13-15-20(16-14-19)24-18-12-10-9-11-17-23(21(2,3)4)22(5,6)7/h8,13-16H,1,9-12,17-18H2,2-7H3
InChIKeyRRCDAXJXAFGJRU-UHFFFAOYSA-N
XLogP6.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.54
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethenyl-4-[6-(4-ethenylphenoxy)hexoxy]benzene
CID 66919086
1-ethenyl-4-henicosoxybenzene
CID 174769675
1-ethenyl-4-[11-(4-methylphenoxy)undecoxy]benzene
CID 70667681
1-ethenyl-4-undecoxybenzene
CID 174770051
11-(4-ethenylphenoxy)undecyl-trimethylazanium
CID 169121754
1-ethenyl-4-hex-5-enoxybenzene
CID 86167911
1-ethenyl-4-(4-iodobutoxy)benzene
CID 71412951
[4-[5-(4-ethenylphenoxy)pentoxy]phenyl]-(4-methoxyphenyl)diazene
CID 71342009
4-[6-(4-ethenylphenoxy)hexoxy]benzenesulfonate
CID 140670040
4-(4-ethenylphenoxy)butyl-dimethoxysilane
CID 123452170
1-ethenyl-4-hept-4-enoxybenzene
CID 175065592
1-(4-decoxyphenyl)-N-(4-ethenylphenyl)methanimine
CID 59991212

Frequently Asked Questions

What is the IUPAC name of N,N-ditert-butyl-6-(4-ethenylphenoxy)hexan-1-amine?
The IUPAC name of N,N-ditert-butyl-6-(4-ethenylphenoxy)hexan-1-amine (CID 68645784) is N,N-ditert-butyl-6-(4-ethenylphenoxy)hexan-1-amine.
What is the SMILES notation for N,N-ditert-butyl-6-(4-ethenylphenoxy)hexan-1-amine?
The canonical SMILES for N,N-ditert-butyl-6-(4-ethenylphenoxy)hexan-1-amine is C=Cc1ccc(OCCCCCCN(C(C)(C)C)C(C)(C)C)cc1.
What is the InChIKey of N,N-ditert-butyl-6-(4-ethenylphenoxy)hexan-1-amine?
The InChIKey is RRCDAXJXAFGJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO/c1-8-19-13-15-20(16-14-19)24-18-12-10-9-11-17-23(21(2,3)4)22(5,6)7/h8,13-16H,1,9-12,17-18H2,2-7H3.
What are the key properties of N,N-ditert-butyl-6-(4-ethenylphenoxy)hexan-1-amine?
N,N-ditert-butyl-6-(4-ethenylphenoxy)hexan-1-amine has a molecular weight of 331.54 g/mol, XLogP of 6.17, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-ditert-butyl-6-(4-ethenylphenoxy)hexan-1-amine is sourced from PubChem (CID 68645784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).