N-tert-butyl-2-methyl-N-(1-phenylhex-5-enoxy)propan-2-amine

C20H33NO — CID 101115753

IUPACN-tert-butyl-2-methyl-N-(1-phenylhex-5-enoxy)propan-2-amine
SMILESC=CCCCC(ON(C(C)(C)C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C20H33NO/c1-8-9-11-16-18(17-14-12-10-13-15-17)22-21(19(2,3)4)20(5,6)7/h8,10,12-15,18H,1,9,11,16H2,2-7H3
InChIKeyMUMVTMUJACKRLK-UHFFFAOYSA-N
MW303.49 g/mol
LogP5.91
Rot. Bonds7

About N-tert-butyl-2-methyl-N-(1-phenylhex-5-enoxy)propan-2-amine

N-tert-butyl-2-methyl-N-(1-phenylhex-5-enoxy)propan-2-amine (PubChem CID 101115753) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-N-(1-phenylhex-5-enoxy)propan-2-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-N-(1-phenylhex-5-enoxy)propan-2-amine
PubChem CID101115753
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC NameN-tert-butyl-2-methyl-N-(1-phenylhex-5-enoxy)propan-2-amine
SMILESC=CCCCC(ON(C(C)(C)C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C20H33NO/c1-8-9-11-16-18(17-14-12-10-13-15-17)22-21(19(2,3)4)20(5,6)7/h8,10,12-15,18H,1,9,11,16H2,2-7H3
InChIKeyMUMVTMUJACKRLK-UHFFFAOYSA-N
XLogP5.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.49
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(1-methoxyhex-5-enyl)-4-phenylbenzene
CID 163855883
1-bromohex-5-enylbenzene
CID 13296849
undec-10-en-2-ylbenzene
CID 140694797
tridec-12-en-2-ylbenzene
CID 140694820
2-methyl-1-phenylnon-8-en-1-ol
CID 107010040
N-tert-butyl-2-phenyloct-7-en-1-amine
CID 81024608
1-phenyldec-9-enyl hydrogen sulfate
CID 87475025
N-ethenyl-1-phenylhex-5-en-1-amine
CID 143899130
tert-butyl-dimethyl-(1-phenylbut-3-enoxy)silane
CID 11230810
dec-1-en-5-ylbenzene;dec-9-en-5-ylbenzene
CID 158724514
CID 10779896
CID 10779896
tetradec-13-en-7-ylbenzene
CID 140694824

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-N-(1-phenylhex-5-enoxy)propan-2-amine?
The IUPAC name of N-tert-butyl-2-methyl-N-(1-phenylhex-5-enoxy)propan-2-amine (CID 101115753) is N-tert-butyl-2-methyl-N-(1-phenylhex-5-enoxy)propan-2-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-N-(1-phenylhex-5-enoxy)propan-2-amine?
The canonical SMILES for N-tert-butyl-2-methyl-N-(1-phenylhex-5-enoxy)propan-2-amine is C=CCCCC(ON(C(C)(C)C)C(C)(C)C)c1ccccc1.
What is the InChIKey of N-tert-butyl-2-methyl-N-(1-phenylhex-5-enoxy)propan-2-amine?
The InChIKey is MUMVTMUJACKRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO/c1-8-9-11-16-18(17-14-12-10-13-15-17)22-21(19(2,3)4)20(5,6)7/h8,10,12-15,18H,1,9,11,16H2,2-7H3.
What are the key properties of N-tert-butyl-2-methyl-N-(1-phenylhex-5-enoxy)propan-2-amine?
N-tert-butyl-2-methyl-N-(1-phenylhex-5-enoxy)propan-2-amine has a molecular weight of 303.49 g/mol, XLogP of 5.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-N-(1-phenylhex-5-enoxy)propan-2-amine is sourced from PubChem (CID 101115753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).