2-tert-butyl-N-[(4-methoxyphenyl)methyl]pent-4-en-1-amine

C17H27NO — CID 10730152

IUPAC2-tert-butyl-N-[(4-methoxyphenyl)methyl]pent-4-en-1-amine
SMILESC=CCC(CNCc1ccc(OC)cc1)C(C)(C)C
InChIInChI=1S/C17H27NO/c1-6-7-15(17(2,3)4)13-18-12-14-8-10-16(19-5)11-9-14/h6,8-11,15,18H,1,7,12-13H2,2-5H3
InChIKeyXBMGBRQNDUFERN-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.02
Rot. Bonds7

About 2-tert-butyl-N-[(4-methoxyphenyl)methyl]pent-4-en-1-amine

2-tert-butyl-N-[(4-methoxyphenyl)methyl]pent-4-en-1-amine (PubChem CID 10730152) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-tert-butyl-N-[(4-methoxyphenyl)methyl]pent-4-en-1-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[(4-methoxyphenyl)methyl]pent-4-en-1-amine
PubChem CID10730152
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-tert-butyl-N-[(4-methoxyphenyl)methyl]pent-4-en-1-amine
SMILESC=CCC(CNCc1ccc(OC)cc1)C(C)(C)C
InChIInChI=1S/C17H27NO/c1-6-7-15(17(2,3)4)13-18-12-14-8-10-16(19-5)11-9-14/h6,8-11,15,18H,1,7,12-13H2,2-5H3
InChIKeyXBMGBRQNDUFERN-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-methoxynaphthalen-2-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 83141221
N-[(4-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 43201033
N-[(4-methoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 17291776
(2S)-N-[(4-methoxyphenyl)methyl]pent-4-en-2-amine
CID 130367202
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
N-[(4-methoxyphenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252801
N-[1-[(4-methoxyphenyl)methylamino]propan-2-yl]-N-methylhydroxylamine
CID 10609197
1-[(4-methoxyphenyl)methylamino]butan-2-ol
CID 23060649
tert-butyl (2R)-3-[(4-methoxyphenyl)methylamino]-2-methylpropanoate
CID 94133637
tert-butyl (2S)-3-[(4-methoxyphenyl)methylamino]-2-methylpropanoate
CID 94133636
2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)ethanol
CID 82312256
2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropyl-N-[(4-methoxyphenyl)methyl]ethanamine
CID 174144243

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[(4-methoxyphenyl)methyl]pent-4-en-1-amine?
The IUPAC name of 2-tert-butyl-N-[(4-methoxyphenyl)methyl]pent-4-en-1-amine (CID 10730152) is 2-tert-butyl-N-[(4-methoxyphenyl)methyl]pent-4-en-1-amine.
What is the SMILES notation for 2-tert-butyl-N-[(4-methoxyphenyl)methyl]pent-4-en-1-amine?
The canonical SMILES for 2-tert-butyl-N-[(4-methoxyphenyl)methyl]pent-4-en-1-amine is C=CCC(CNCc1ccc(OC)cc1)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-[(4-methoxyphenyl)methyl]pent-4-en-1-amine?
The InChIKey is XBMGBRQNDUFERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-6-7-15(17(2,3)4)13-18-12-14-8-10-16(19-5)11-9-14/h6,8-11,15,18H,1,7,12-13H2,2-5H3.
What are the key properties of 2-tert-butyl-N-[(4-methoxyphenyl)methyl]pent-4-en-1-amine?
2-tert-butyl-N-[(4-methoxyphenyl)methyl]pent-4-en-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[(4-methoxyphenyl)methyl]pent-4-en-1-amine is sourced from PubChem (CID 10730152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).