1-(4-tert-butylphenyl)-N-propylhex-5-en-1-amine

C19H31N — CID 104986877

IUPAC1-(4-tert-butylphenyl)-N-propylhex-5-en-1-amine
SMILESC=CCCCC(NCCC)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H31N/c1-6-8-9-10-18(20-15-7-2)16-11-13-17(14-12-16)19(3,4)5/h6,11-14,18,20H,1,7-10,15H2,2-5H3
InChIKeyBYTYRGGIRNSTSP-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.38
Rot. Bonds8

About 1-(4-tert-butylphenyl)-N-propylhex-5-en-1-amine

1-(4-tert-butylphenyl)-N-propylhex-5-en-1-amine (PubChem CID 104986877) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-propylhex-5-en-1-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-propylhex-5-en-1-amine
PubChem CID104986877
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name1-(4-tert-butylphenyl)-N-propylhex-5-en-1-amine
SMILESC=CCCCC(NCCC)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H31N/c1-6-8-9-10-18(20-15-7-2)16-11-13-17(14-12-16)19(3,4)5/h6,11-14,18,20H,1,7-10,15H2,2-5H3
InChIKeyBYTYRGGIRNSTSP-UHFFFAOYSA-N
XLogP5.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-tert-butylphenyl)-3-methoxy-N-propylpropan-1-amine
CID 55085543
1-(3-bromo-4-fluorophenyl)-N-propylhex-5-en-1-amine
CID 82801652
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylhex-5-en-1-amine
CID 104986677
1-(4-tert-butylphenyl)-N-propylhex-4-yn-1-amine
CID 105037317
2-(4-tert-butylphenyl)-2-(propylamino)ethanol
CID 61054986
1-(4-tert-butylphenyl)-N-propylethane-1,2-diamine
CID 62066764
N-propyl-1-[4-(trifluoromethyl)phenyl]hexan-1-amine
CID 115837166
1-(3,5-dimethylphenyl)-N-propyloct-7-en-1-amine
CID 107011718
1-(5-bromofuran-2-yl)-N-propylhex-5-en-1-amine
CID 104986700
1-(4-bromo-3-fluorophenyl)-N-propyloct-7-en-1-amine
CID 107011673
1-(4-tert-butylthiadiazol-5-yl)-N-propylhex-5-en-1-amine
CID 105153160
1-(5-chlorothiophen-2-yl)-N-propylhex-5-en-1-amine
CID 104986628

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-propylhex-5-en-1-amine?
The IUPAC name of 1-(4-tert-butylphenyl)-N-propylhex-5-en-1-amine (CID 104986877) is 1-(4-tert-butylphenyl)-N-propylhex-5-en-1-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-propylhex-5-en-1-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-propylhex-5-en-1-amine is C=CCCCC(NCCC)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-propylhex-5-en-1-amine?
The InChIKey is BYTYRGGIRNSTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-6-8-9-10-18(20-15-7-2)16-11-13-17(14-12-16)19(3,4)5/h6,11-14,18,20H,1,7-10,15H2,2-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-N-propylhex-5-en-1-amine?
1-(4-tert-butylphenyl)-N-propylhex-5-en-1-amine has a molecular weight of 273.46 g/mol, XLogP of 5.38, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-propylhex-5-en-1-amine is sourced from PubChem (CID 104986877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).